SCHEMBL90105

SCHEMBL90105

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NC4(c5ccc(F)cc5)CC4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.42
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP2C9 P11712 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
EPHX2 P34913 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL10282924 0.94 REN (0.41) RENKMT2AMEN1ALDH1A1NPSR1
SCHEMBL89587 0.94 REN (0.41) RENKMT2AMEN1ALDH1A1NPSR1
SCHEMBL89608 0.92 REN (0.40) RENKMT2AMEN1ALDH1A1NPSR1
SCHEMBL89932 0.91 REN (0.42) RENKMT2AMEN1ALDH1A1NPSR1
SCHEMBL89855 0.91 REN (0.40) RENKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL89550 0.91 REN (0.40) RENKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL89761 0.90 REN (0.41) RENKMT2AMEN1ALDH1A1NPSR1
SCHEMBL89712 0.90 REN (0.41) RENKMT2AMEN1ALDH1A1NPSR1
SCHEMBL90676 0.89 REN (0.42) RENKMT2AMEN1ALDH1A1NPSR1
SCHEMBL89751 0.89 REN (0.42) RENKMT2AMEN1ALDH1A1CYP2C9

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 1/4885KMT2A 3129/4885MEN1 2336/4885

“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.