SCHEMBL5032913

SCHEMBL5032913

CC1(c2ccccc2F)COCC(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.40
HCAR2 Q8TDS4 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
PDE7A Q13946 1/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL4543405 0.82 ALDH1A1 (0.41) PGRHCAR2ALDH1A1BACE1BACE2
SCHEMBL1173165 0.80 BACE1 (0.39) PGRBACE1BACE2
SCHEMBL1173162 0.80 BACE1 (0.39) PGRBACE1BACE2
SCHEMBL1173442 0.80 BACE1 (0.39) PGRBACE1BACE2
SCHEMBL6924268 0.80 BACE1 (0.40) PGRBACE1BACE2
SCHEMBL6924498 0.80 BACE1 (0.40) PGRBACE1BACE2
Hydrochloric Acid SCHEMBL1173051 0.79 BACE1 (0.40) PGRBACE1BACE2
Hydrochloric Acid SCHEMBL1173048 0.79 BACE1 (0.40) PGRBACE1BACE2
Hydrochloric Acid SCHEMBL1173256 0.79 BACE1 (0.40) PGRBACE1BACE2
SCHEMBL741432 0.78 BACE1 (0.41) ALDH1A1MEN1MAPTCYP2C9KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012448-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of MGLUR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-04-21 US disclosed
US-9012448-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of MGLUR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-04-21 US disclosed
US-9012448-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of MGLUR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-04-21 US disclosed
EP-2643320-B1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2015-03-04 EP disclosed
EP-2643320-B1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2015-03-04 EP disclosed
US-20130252952-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2013-09-26 US disclosed
US-20130252952-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2013-09-26 US disclosed
US-20130252952-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2013-09-26 US disclosed
WO-2012062751-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 (1 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-20130252952-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM1, GRM3 PGR 964/4885HCAR2 99/4885ALDH1A1 3180/4885

“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.