SCHEMBL3093689

SCHEMBL3093689

CNCc1ccc(Cl)c(CNC(=O)C2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.49
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TP53 P04637 1/20 0.46
TYK2 P29597 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 2/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL2635463 0.92 ERCC1 (0.55) EPHX2ERCC1ERCC4ALDH1A1KDM4E
SCHEMBL3088347 0.88 EPHX2 (0.47) EPHX2ERCC1ERCC4ALDH1A1TP53
SCHEMBL2635473 0.88 EPHX2 (0.51) EPHX2ERCC1ERCC4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4682675 0.87 EPHX2 (0.50) EPHX2ERCC1ERCC4ALDH1A1KDM4E
SCHEMBL2635819 0.87 EPHX2 (0.50) EPHX2ERCC1ERCC4ALDH1A1KDM4E
SCHEMBL3081025 0.87 EPHX2 (0.47) EPHX2ERCC1ERCC4ALDH1A1KDM4E
SCHEMBL91263 0.86 ERCC1 (0.52) EPHX2ERCC1ERCC4ALDH1A1KDM4E
SCHEMBL2635101 0.85 EPHX2 (0.46) EPHX2ERCC1ERCC4ALDH1A1KDM4E
SCHEMBL1750644 0.85 ERCC1 (0.54) EPHX2ERCC1ERCC4ALDH1A1KDM4E
SCHEMBL3093494 0.84 THRB (0.52) EPHX2ERCC1ERCC4ALDH1A1HPGD

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-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 US claimed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US claimed
EP-1893578-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP claimed
WO-2006129237-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-07 WO claimed
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 EPHX2 1088/4885ERCC1 4347/4885ERCC4 4581/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 EPHX2 846/4885ERCC1 4314/4885ERCC4 4590/4885

“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.