SCHEMBL4562535

SCHEMBL4562535

COc1cccc(F)c1C1=CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 12/20 0.50
CDK9 P50750 12/20 0.50
QDPR P09417 1/20 0.48
CD274 Q9NZQ7 1/20 0.45
HTR6 P50406 3/20 0.45
HTR2C P28335 3/20 0.45
HTR7 P34969 2/20 0.45
HTR2A P28223 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43

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
SCHEMBL14704912 0.92 CDK9 (0.44) CCNT1CDK9QDPRCD274HTR6
SCHEMBL5020013 0.85 CCNT1 (0.48) CCNT1CDK9QDPRHTR6HTR2C
SCHEMBL24196806 0.84 SIGMAR1 (0.55) CCNT1CDK9QDPRHTR6HTR2C
SCHEMBL2078066 0.82 CCNT1 (0.50) CCNT1CDK9QDPRCD274HTR6
SCHEMBL7888721 0.80 HTR2C (0.49) QDPRHTR6HTR2CHTR7HTR2A
SCHEMBL5019939 0.79 QDPR (0.48) CCNT1CDK9QDPRHTR6HTR2C
SCHEMBL5019958 0.79 HTR1A (0.54) CCNT1CDK9HTR6HTR2CHTR2A
SCHEMBL31348189 0.77 CCNT1 (0.60) CCNT1CDK9QDPRCD274HTR6
SCHEMBL614978 0.75 CCNT1 (0.57) CCNT1CDK9QDPRHTR6HTR2C
SCHEMBL31348179 0.75 CCNT1 (0.57) CCNT1CDK9QDPRHTR6HTR2C

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
EP-2638040-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-18 EP 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
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 (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-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS GRM2, GRM3, GRM1 CCNT1 3537/4885CDK9 2257/4885QDPR 2833/4885

“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.