SCHEMBL2634890

SCHEMBL2634890

COCCCc1ccc(Cl)c(CNC(=O)C2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.46
REN P00797 6/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 2/20 0.43
PKM P14618 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL2635570 0.93 EPHX2 (0.47) EPHX2ALDH1A1SMN1; SMN2PKMHPGD
Hydrochloric Acid SCHEMBL4685679 0.92 EPHX2 (0.47) EPHX2ALDH1A1SMN1; SMN2PKMHPGD
Acetic Acid SCHEMBL3038282 0.90 EPHX2 (0.45) EPHX2ALDH1A1SMN1; SMN2PKMHPGD
SCHEMBL2635463 0.82 ERCC1 (0.55) EPHX2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL3088347 0.82 EPHX2 (0.47) EPHX2ALDH1A1PKMCYP2D6CYP2C19
SCHEMBL2635460 0.81 KDM4E (0.47) EPHX2ALDH1A1HPGDKMT2AGAA
SCHEMBL3093689 0.80 EPHX2 (0.49) EPHX2ALDH1A1PKMCYP2D6CYP2C19
SCHEMBL3086062 0.80 EPHX2 (0.45) EPHX2ALDH1A1PKMCYP2D6CYP2C19
SCHEMBL2635482 0.80 KMT2A (0.47) EPHX2ALDH1A1PKMCYP2D6CYP2C19
SCHEMBL2635178 0.80 REN (0.44) EPHX2RENCYP3A4ALDH1A1PKM

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 20 patents. 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
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US 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-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO claimed
WO-2007049224-A1 NOVEL HEXAHYDRO- OR OCTAHYDRO-CYCLOPENTA[C]PYRROLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-05-03 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
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US disclosed
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP 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-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 WO disclosed
WO-2007049224-A1 NOVEL HEXAHYDRO- OR OCTAHYDRO-CYCLOPENTA[C]PYRROLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-05-03 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 (3 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 1088/4885REN 1/4885CYP3A4 709/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 EPHX2 846/4885REN 1/4885CYP3A4 676/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 EPHX2 194/4885REN 1/4885CYP3A4 441/4885

“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.