SCHEMBL2636014

SCHEMBL2636014

O=C(CC(F)(F)F)NCc1ccc(Cl)c(CNC(=O)C2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.47
JAK1 P23458 1/20 0.45
ERCC1 P07992 2/20 0.44
ERCC4 Q92889 2/20 0.44
P2RX7 Q99572 2/20 0.44
SLC13A5 Q86YT5 2/20 0.43
PTGES O14684 1/20 0.43
KMT2A Q03164 3/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
REN P00797 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL3092898 0.90 EPHX2 (0.43) EPHX2JAK1SLC13A5KMT2APKM
SCHEMBL2635463 0.88 ERCC1 (0.55) EPHX2ERCC1ERCC4SLC13A5KMT2A
SCHEMBL2635819 0.85 EPHX2 (0.50) EPHX2ERCC1ERCC4P2RX7KMT2A
SCHEMBL1750880 0.85 REN (0.42) EPHX2JAK1ERCC1ERCC4P2RX7
SCHEMBL1750533 0.82 ERCC1 (0.46) ERCC1ERCC4P2RX7KMT2AREN
SCHEMBL2635473 0.82 EPHX2 (0.51) EPHX2ERCC1ERCC4P2RX7SLC13A5
SCHEMBL91285 0.81 TSHR (0.46) ERCC1ERCC4P2RX7ALDH1A1REN
SCHEMBL1750644 0.81 ERCC1 (0.54) EPHX2ERCC1ERCC4P2RX7SLC13A5
Hydrochloric Acid SCHEMBL4682675 0.81 EPHX2 (0.50) EPHX2ERCC1ERCC4P2RX7SLC13A5
SCHEMBL3093689 0.80 EPHX2 (0.49) EPHX2ERCC1ERCC4KMT2APKM

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 13 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-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
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 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
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 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 1088/4885JAK1 4034/4885ERCC1 4347/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 EPHX2 846/4885JAK1 3510/4885ERCC1 4314/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 EPHX2 194/4885JAK1 2644/4885ERCC1 4387/4885

“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.