SCHEMBL4561685

SCHEMBL4561685

CCc1nnc2c(C(F)(F)F)c(C=O)ccn12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.48
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17904255 0.89 GRM2 (0.43) GRM2CYP2C9CYP2C19SLC6A3SIGMAR1
SCHEMBL4562080 0.86 GRM2 (0.48) GRM2CYP2C9CYP2C19SLC6A3SIGMAR1
SCHEMBL4562407 0.86 GRM2 (0.50) GRM2
SCHEMBL5019112 0.82 GRM2 (0.58) GRM2CYP2C9CYP2C19SLC6A3SIGMAR1
SCHEMBL4561137 0.81 GRM2 (0.31) GRM2
SCHEMBL17904256 0.81 GRM2 (0.55) GRM2CYP2C9CYP2C19SLC6A3SIGMAR1
SCHEMBL4562607 0.78 GRM2 (0.51) GRM2CYP2C19
SCHEMBL16557118 0.76 GRM2 (0.43) GRM2CYP2C9CYP2C19SLC6A3SIGMAR1
Cyclopropane SCHEMBL750832 0.75 GRM2 (0.51) GRM2CYP2C19
SCHEMBL17832167 0.73 GRM2 (0.40) GRM2CYP2C9CYP2C19SLC6A3SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11369606-B2 Combinations comprising positive allosteric modulators or orthosteric agonists of metabotropic glutamatergic receptor subtype 2 and their use JANSSEN PHARMACEUTICA NV (BE) 2022-06-28 US disclosed
US-20220143141-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2022-05-12 US disclosed
US-20220047593-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2022-02-17 US disclosed
EP-3827830-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE Janssen Pharmaceutica NV (BE) 2021-06-02 EP disclosed
US-20200138813-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2020-05-07 US disclosed
US-20200138814-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2020-05-07 US disclosed
EP-3431106-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE Janssen Pharmaceutica NV (BE) 2019-01-23 EP disclosed
EP-3424535-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE Janssen Pharmaceutica NV (BE) 2019-01-09 EP disclosed
EP-3041839-B1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE COMPOUNDS AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-26 EP disclosed
US-9708315-B2 1,2,4-triazolo[4,3-a]pyridine compounds and their use as positive allosteric modulators of MGLUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2017-07-18 US disclosed
US-20160367554-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE Neuroadjuvants, Inc 2016-12-22 US disclosed
US-20160194318-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE COMPOUNDS AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-07-07 US disclosed
US-20160194318-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE COMPOUNDS AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-07-07 US disclosed
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
EP-2649069-B1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
WO-2015110435-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2015-07-30 WO disclosed
WO-2015032790-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE COMPOUNDS AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-12 WO disclosed
EP-2649069-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2013-10-16 EP disclosed
WO-2012062750-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160367554-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE GRM2, GRIN2A, GRIK2 GRM2 1/4885CYP2C9 4555/4885CYP2C19 4598/4885
US-20220047593-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE GRM2, GRIN2A, GRIK2 GRM2 1/4885CYP2C9 4555/4885CYP2C19 4598/4885
US-20160194318-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE COMPOUNDS AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRM3 GRM2 1/4885CYP2C9 3880/4885CYP2C19 3526/4885
US-20200138813-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE GRM2, GRIN2A, GRIK2 GRM2 1/4885CYP2C9 4555/4885CYP2C19 4598/4885
US-11369606-B2 Combinations comprising positive allosteric modulators or orthosteric agonists of metabotropic glutamatergic receptor subtype 2 and their use GRM2, GRIN2A, GRIK2 GRM2 1/4885CYP2C9 4555/4885CYP2C19 4598/4885
US-20200138814-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE GRM2, GRIN2A, GRIK2 GRM2 1/4885CYP2C9 4555/4885CYP2C19 4598/4885
US-20220143141-A1 COMBINATIONS COMPRISING POSITIVE ALLOSTERIC MODULATORS OR ORTHOSTERIC AGONISTS OF METABOTROPIC GLUTAMATERGIC RECEPTOR SUBTYPE 2 AND THEIR USE GRM2, GRIN2A, GRIK2 GRM2 1/4885CYP2C9 4555/4885CYP2C19 4598/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.