SCHEMBL89197

SCHEMBL89197

COCCCN1C(=O)COc2ccc(N(C(=O)[C@H]3CNC[C@@H](C(=O)NCCc4ccccc4)C3)C3CC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.45
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 3/20 0.42
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM1 P11229 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL8234873 0.93 REN (0.45) RENTSHRTP53CHRM1POLB
SCHEMBL90394 0.89 REN (0.52) RENTSHRTP53KDM4EPOLB
SCHEMBL89189 0.89 REN (0.52) RENTSHRTP53KDM4EPOLB
SCHEMBL89199 0.87 SMN1; SMN2 (0.39) RENTSHRSMN1; SMN2TP53RAB9A
SCHEMBL90623 0.87 REN (0.47) RENTSHRTP53
SCHEMBL1911383 0.87 TSHR (0.46) RENTSHRTP53CYP3A4KDM4E
SCHEMBL8235503 0.87 TSHR (0.46) RENTSHRTP53CYP3A4KDM4E
SCHEMBL90326 0.84 REN (0.55) RENTSHR
SCHEMBL89698 0.83 TSHR (0.42) RENTSHRTP53CYP3A4CYP2C9
SCHEMBL89964 0.82 REN (0.55) RENTSHRPOLB

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 1/4885TSHR 1095/4885SMN1; SMN2 1867/4885

“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.