SCHEMBL90582

SCHEMBL90582

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@H]3CNC[C@@H](C(=O)NC(C)(C)C4CCOCC4)C3)C3CC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.53
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KCNH2 Q12809 2/20 0.33

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
SCHEMBL89173 0.92 REN (0.53) RENCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL90208 0.92 REN (0.56) RENCYP1A2CYP2C9CYP2C19USP2
SCHEMBL8235471 0.92 REN (0.56) RENCYP1A2CYP2C9CYP2C19USP2
SCHEMBL89556 0.90 REN (0.55) RENHPGDALDH1A1MEN1KMT2A
SCHEMBL89253 0.90 REN (0.54) RENCYP1A2CYP2C9CYP2C19USP2
SCHEMBL8238346 0.90 REN (0.54) RENCYP1A2CYP2C9CYP2C19USP2
SCHEMBL89487 0.90 REN (0.54) RENHPGDALDH1A1MEN1KMT2A
SCHEMBL89958 0.90 REN (0.54) RENHPGDALDH1A1MEN1KMT2A
SCHEMBL89322 0.90 REN (0.54) RENCYP1A2CYP2C9CYP2C19USP2
SCHEMBL89923 0.90 REN (0.54) RENCYP1A2CYP2C9CYP2C19USP2

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 1/4885CYP1A2 239/4885CYP2C9 211/4885

“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.