SCHEMBL2389700

SCHEMBL2389700

CCO[C@H](C)COCc1ccc([C@H]2C[C@H](CCC(=O)O)N(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2OCc2ccc3c(c2)N(CCCOC)CCO3)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
RORC P51449 3/20 0.31
KMT2A Q03164 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
SCHEMBL2389703 1.00 CYP2C9 (0.32) CYP2C9RORCKMT2A
SCHEMBL2389462 0.95 CYP2C9 (0.33) CYP2C9RORC
SCHEMBL2389465 0.95 CYP2C9 (0.33) CYP2C9RORC
SCHEMBL2390898 0.94 RORC (0.33) CYP2C9RORCKMT2A
SCHEMBL2390896 0.94 RORC (0.33) CYP2C9RORCKMT2A
SCHEMBL2387359 0.94 CYP2C9 (0.31) CYP2C9RORC
SCHEMBL2387362 0.94 CYP2C9 (0.31) CYP2C9RORC
SCHEMBL1517913 0.93 CYP2C9 (0.33) CYP2C9RORCKMT2A
SCHEMBL1517914 0.93 CYP2C9 (0.33) CYP2C9RORCKMT2A
SCHEMBL2389128 0.93 REN (0.32) CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022069-B2 Substituted piperidines as renin inhibitors NOVARTIS AG (CH) 2011-09-20 US disclosed
US-20100331322-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-12-30 US disclosed
EP-2250166-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009098276-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-08-13 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-20100331322-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, ACE, AGTR1 CYP2C9 239/4885RORC 2407/4885KMT2A 3822/4885

“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.