SCHEMBL1517841

SCHEMBL1517841

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](CC#N)C[C@@H]3c3ccc(COCC(C)COC)cc3)cc21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
REN P00797 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
SCHEMBL1517840 1.00 CYP2C9 (0.31) CYP2C9LMNASMN1; SMN2REN
SCHEMBL1517956 0.94 CYP2C9 (0.31) CYP2C9
SCHEMBL1517958 0.94 CYP2C9 (0.31) CYP2C9
SCHEMBL1517845 0.94 CYP2C9 (0.30) CYP2C9
SCHEMBL1517846 0.94 CYP2C9 (0.30) CYP2C9
SCHEMBL1517993 0.93 REN (0.32) CYP2C9LMNASMN1; SMN2REN
SCHEMBL1040944 0.93 LMNA (0.33) CYP2C9LMNASMN1; SMN2REN
SCHEMBL2389555 0.93 REN (0.30) CYP2C9REN
SCHEMBL2389553 0.93 REN (0.30) CYP2C9REN
SCHEMBL1517999 0.93 CYP2C9 (0.32) CYP2C9LMNASMN1; SMN2REN

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-8022068-B2 Substituted piperidines as renin inhibitors NOVARTIS AG (CH) 2011-09-20 US disclosed
US-20110053924-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2011-03-03 US disclosed
EP-2252610-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2010-11-24 EP disclosed
WO-2009098275-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-20110053924-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, ACE, AGTR1 CYP2C9 239/4885LMNA 2174/4885SMN1; SMN2 4468/4885

“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.