SCHEMBL2635570

SCHEMBL2635570

COCCc1ccc(Cl)c(CNC(=O)C2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.47
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 2/20 0.42
NQO2 P16083 1/20 0.42
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
Hydrochloric Acid SCHEMBL4685679 0.99 EPHX2 (0.47) EPHX2ALDH1A1SMN1; SMN2HPGDKMT2A
Acetic Acid SCHEMBL3038282 0.96 EPHX2 (0.45) EPHX2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL2634890 0.93 EPHX2 (0.46) EPHX2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL2635463 0.84 ERCC1 (0.55) EPHX2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL3088347 0.84 EPHX2 (0.47) EPHX2ALDH1A1PKMTP53GAA
SCHEMBL2635460 0.83 KDM4E (0.47) EPHX2ALDH1A1HPGDKMT2ATP53
SCHEMBL3093689 0.82 EPHX2 (0.49) EPHX2ALDH1A1HPGDKMT2APKM
SCHEMBL3086062 0.82 EPHX2 (0.45) EPHX2ALDH1A1KMT2APKMTP53
SCHEMBL2635482 0.82 KMT2A (0.47) EPHX2ALDH1A1KMT2APKMTP53
SCHEMBL2635473 0.81 EPHX2 (0.51) EPHX2ALDH1A1SMN1; SMN2HPGDKMT2A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US claimed
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 US claimed
US-7799805-B2 Piperidine carboxylic acid amide derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-21 US claimed
WO-2010011584-A2 PROCESS FOR MAKING A RENIN INHIBITOR MERCK & CO., INC. (US) 2010-01-28 WO claimed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US claimed
US-20090062342-A1 AMINES ACTELION PHARMACEUTICALS LTD. (CH) 2009-03-05 US claimed
EP-1994026-A2 NEW AMINES Actelion Pharmaceuticals Ltd. (CH) 2008-11-26 EP claimed
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP 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-2007102127-A2 NEW AMINES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-13 WO claimed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO claimed
WO-2006129237-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-07 WO claimed
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
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
EP-1893578-A2 NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2007102127-A2 NEW AMINES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-13 WO disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO 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 (4 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 1088/4885ALDH1A1 387/4885SMN1; SMN2 4649/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 EPHX2 846/4885ALDH1A1 313/4885SMN1; SMN2 4592/4885
US-20090062342-A1 AMINES REN, ACE, MAOA EPHX2 234/4885ALDH1A1 1102/4885SMN1; SMN2 4372/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 EPHX2 194/4885ALDH1A1 941/4885SMN1; SMN2 4441/4885

“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.