SCHEMBL90078

SCHEMBL90078

CC1(C)Oc2ccc(N(C(=O)[C@H]3CNC[C@@H](C(=O)NC4(c5ccccc5)CCCC4)C3)C3CC3)cc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.40
REN P00797 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN9A Q15858 4/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL90080 0.85 MEN1 (0.33) SSTR4KDM4EALDH1A1SMN1; SMN2SCN9A
SCHEMBL89598 0.80 REN (0.52) SSTR4RENALDH1A1SMN1; SMN2POLB
SCHEMBL8229874 0.80 REN (0.52) SSTR4RENALDH1A1SMN1; SMN2POLB
SCHEMBL89586 0.77 REN (0.53) RENALDH1A1POLB
SCHEMBL8229873 0.76 REN (0.51) RENALDH1A1POLB
SCHEMBL89960 0.75 REN (0.54) RENALDH1A1POLB
SCHEMBL1911371 0.75 REN (0.54) RENALDH1A1POLB
SCHEMBL90215 0.74 REN (0.68) REN
SCHEMBL90121 0.74 REN (0.52) RENALDH1A1
SCHEMBL89080 0.74 REN (0.51) RENALDH1A1SMN1; SMN2POLB

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 SSTR4 905/4885REN 1/4885KDM4E 1650/4885

“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.