SCHEMBL89150

SCHEMBL89150

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NCC4CCN(C)CC4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.44
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
UTS2R Q9UKP6 2/20 0.34
GNRHR P30968 1/20 0.34
EPHX2 P34913 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL89493 0.94 REN (0.43) RENKDM4EPKMKMT2AMEN1
SCHEMBL1911396 0.90 REN (0.46) RENKMT2AMEN1EPHX2GPR119
SCHEMBL90061 0.90 REN (0.46) RENKMT2AMEN1EPHX2GPR119
SCHEMBL1911409 0.90 REN (0.44) RENKMT2AMEN1EPHX2HPGD
SCHEMBL89822 0.90 REN (0.44) RENKMT2AMEN1EPHX2HPGD
SCHEMBL90131 0.89 REN (0.43) RENKMT2AMEN1EPHX2HPGD
SCHEMBL89697 0.89 REN (0.49) RENKMT2AMEN1EPHX2HPGD
SCHEMBL10282943 0.89 REN (0.43) RENKMT2AMEN1EPHX2HPGD
SCHEMBL90110 0.89 REN (0.48) RENKMT2AMEN1EPHX2HPGD
SCHEMBL90013 0.89 REN (0.48) RENKMT2AMEN1EPHX2HPGD

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 5 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

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 1/4885KDM4E 1650/4885PKM 730/4885

“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.