SCHEMBL1750880

SCHEMBL1750880

O=C(CC(F)(F)F)NCc1ccc(Cl)c(CNC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.42
CYP3A4 P08684 1/20 0.42
P2RX7 Q99572 7/20 0.40
ERCC1 P07992 2/20 0.40
ERCC4 Q92889 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.37
EPHX2 P34913 1/20 0.37
JAK1 P23458 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL3085141 0.90 REN (0.42) RENCYP3A4KDM4ETDP1LMNA
SCHEMBL2636014 0.85 EPHX2 (0.47) RENCYP3A4P2RX7ERCC1ERCC4
SCHEMBL1750833 0.84 P2RX7 (0.44) RENP2RX7ERCC1ERCC4LMNA
SCHEMBL1750533 0.83 ERCC1 (0.46) RENCYP3A4P2RX7ERCC1ERCC4
SCHEMBL91285 0.82 TSHR (0.46) RENCYP3A4P2RX7ERCC1ERCC4
SCHEMBL1750883 0.81 TSHR (0.44) RENCYP3A4P2RX7ERCC1ERCC4
SCHEMBL1751524 0.80 TSHR (0.61) RENCYP3A4P2RX7LMNATSHR
SCHEMBL1751194 0.80 ERCC1 (0.49) ERCC1ERCC4KDM4ELMNAEPHX2
SCHEMBL2635104 0.79 POLB (0.50) CYP3A4
SCHEMBL1751142 0.77 LMNA (0.57) LMNAEPHX2

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 15 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
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-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 REN 1/4885CYP3A4 709/4885P2RX7 532/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 REN 1/4885CYP3A4 676/4885P2RX7 329/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 REN 1/4885CYP3A4 441/4885P2RX7 1294/4885

“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.