SCHEMBL89543

SCHEMBL89543

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@H]3CNC[C@@H](C(=O)NC4(c5cncc(F)c5)CCCC4)C3)C3CC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.51
KCNH2 Q12809 4/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL89648 0.91 REN (0.49) RENKCNH2POLBALDH1A1GAA
SCHEMBL89080 0.91 REN (0.51) RENKCNH2POLBALDH1A1GAA
SCHEMBL89598 0.90 REN (0.52) RENPOLBALDH1A1GAA
SCHEMBL90101 0.90 REN (0.55) RENKCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8229874 0.90 REN (0.52) RENPOLBALDH1A1GAA
SCHEMBL89550 0.88 REN (0.40) RENCYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL89586 0.87 REN (0.53) RENKCNH2POLBALDH1A1
SCHEMBL89236 0.87 REN (0.53) RENKCNH2POLBALDH1A1GAA
SCHEMBL90127 0.86 REN (0.54) RENKCNH2POLBALDH1A1GAA
SCHEMBL8229873 0.86 REN (0.51) RENKCNH2CYP3A4POLBALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (1 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885KCNH2 415/4885CYP3A4 416/4885

“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.