SCHEMBL5020040

SCHEMBL5020040

COc1ccc(F)c(F)c1C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.49
HTR2A P28223 2/20 0.49
HTR2B P41595 2/20 0.49
HTR1A P08908 8/20 0.47
SLC6A2 P23975 8/20 0.47
SLC6A4 P31645 8/20 0.47
SLC6A3 Q01959 7/20 0.47
CCNT1 O60563 3/20 0.43
CDK9 P50750 3/20 0.43
GRM2 Q14416 1/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL31614213 0.85 HTR2A (0.53) HTR2CHTR2AHTR2BGRM2
SCHEMBL5020016 0.81 HTR1A (0.70) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6926121 0.79 HTR2A (0.48) HTR2CHTR2AHTR2BCCNT1CDK9
Hydrochloric Acid SCHEMBL4888805 0.79 HTR1A (0.68) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL615004 0.78 HTR2C (0.66) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL746645 0.77 HTR1A (0.49) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5020018 0.75 QDPR (0.47) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL23216345 0.74 HTR2C (0.50) HTR2CHTR2AHTR2BHTR1ASLC6A2
SCHEMBL29768364 0.74 HTR2C (0.50) HTR2CHTR2AHTR2BHTR1ASLC6A2
SCHEMBL19701832 0.74 HTR2C (0.54) HTR2CHTR2AHTR2BHTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
WO-2012062752-A1 RADIOLABELLED mGLuR2 PET LIGANDS 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 (2 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-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS GRM2, GRM3, GRM1 HTR2C 376/4885HTR2A 431/4885HTR2B 472/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C HTR2C 31/4885HTR2A 43/4885HTR2B 85/4885

“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.