SCHEMBL89236

SCHEMBL89236

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@H]3CNC[C@@H](C(=O)NC4(COC)CCCC4)C3)C3CC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.53
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 4/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL90141 0.97 REN (0.54) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL90669 0.95 REN (0.57) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL90186 0.92 REN (0.58) RENALDH1A1POLBGAAKCNH2
SCHEMBL90127 0.92 REN (0.54) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL89554 0.92 REN (0.55) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL90658 0.90 REN (0.57) RENALDH1A1POLBSMN1; SMN2KCNH2
SCHEMBL89693 0.90 REN (0.53) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL89763 0.90 REN (0.52) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL90206 0.90 REN (0.52) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL89116 0.89 REN (0.54) RENALDH1A1POLBGAASMN1; SMN2

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 6 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
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885ALDH1A1 38/4885POLB 589/4885

“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.