SCHEMBL3089638

SCHEMBL3089638

COCCCc1ccc(Cl)cc1CC1(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.42
REN P00797 19/20 0.42
CYP3A4 P08684 9/20 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
SCHEMBL3089635 0.85 REN (0.57) KCNH2RENCYP3A4
SCHEMBL1750732 0.79 PDE4B (0.51) KCNH2RENCYP3A4
SCHEMBL1751490 0.79 PDE4B (0.51) KCNH2RENCYP3A4
SCHEMBL3264633 0.78 KCNH2 (0.47) KCNH2RENCYP3A4
SCHEMBL556513 0.78 KCNH2 (0.47) KCNH2RENCYP3A4
SCHEMBL3264631 0.78 KCNH2 (0.47) KCNH2RENCYP3A4
SCHEMBL2783355 0.76 REN (0.43) KCNH2RENCYP3A4
SCHEMBL2783354 0.76 REN (0.43) KCNH2RENCYP3A4
SCHEMBL3047878 0.75 KCNH2 (0.64) KCNH2RENCYP3A4
SCHEMBL1752356 0.75 REN (0.71) KCNH2RENCYP3A4

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 3 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 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

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 KCNH2 1032/4885REN 1/4885CYP3A4 709/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 KCNH2 923/4885REN 1/4885CYP3A4 676/4885

“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.