SCHEMBL3085983

SCHEMBL3085983

CN(Cc1ccc(Cl)c(CO)c1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.41
HTR2C P28335 1/20 0.41
RIPK1 Q13546 4/20 0.40
GLS O94925 1/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
MCHR1 Q99705 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HTR2A P28223 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL3084246 0.87 CDK8 (0.42) SLC6A4HTR2CHTR2AALDH1A1MEN1
SCHEMBL3085139 0.85 HDAC3 (0.40) RIPK1HSP90AA1ALDH1A1HTTMEN1
SCHEMBL24289750 0.83 HTR2C (0.40) SLC6A4HTR2CGLSCTSLCTSB
SCHEMBL30616963 0.83 HTR2C (0.40) SLC6A4HTR2CGLSCTSLCTSB
SCHEMBL4180366 0.83 HTR2C (0.42) SLC6A4HTR2CRIPK1GLSERCC1
SCHEMBL3075616 0.82 HTR2C (0.39) SLC6A4HTR2CRIPK1GLSERCC1
SCHEMBL1750787 0.82 SSTR4 (0.39) SLC6A4HTR2ACTSLCTSBCTSS
SCHEMBL1751560 0.82 REN (0.40) HTR2A
SCHEMBL14969145 0.82 HTR2C (0.43) SLC6A4HTR2CRIPK1GLSHSP90AA1
SCHEMBL506105 0.82 RIPK1 (0.40) SLC6A4HTR2CRIPK1GLSHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 US disclosed
US-7799805-B2 Piperidine carboxylic acid amide derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-21 US disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US disclosed
EP-1893578-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006129237-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-07 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-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives REN, ACE, AGTR2 SLC6A4 2410/4885HTR2C 2669/4885RIPK1 2975/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 SLC6A4 1449/4885HTR2C 1693/4885RIPK1 3481/4885

“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.