SCHEMBL89856

SCHEMBL89856

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

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.59
KCNH2 Q12809 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL90107 0.93 REN (0.61) RENKCNH2ALDH1A1MEN1KMT2A
SCHEMBL10283290 0.92 REN (0.58) RENKCNH2ALDH1A1MEN1KMT2A
SCHEMBL90645 0.92 REN (0.58) RENKCNH2ALDH1A1MEN1KMT2A
SCHEMBL89222 0.91 REN (0.63) RENKCNH2ALDH1A1SMN1; SMN2POLB
SCHEMBL90620 0.91 REN (0.62) RENKCNH2ALDH1A1MEN1KMT2A
SCHEMBL89766 0.91 REN (0.62) RENKCNH2ALDH1A1MEN1KMT2A
SCHEMBL90091 0.91 REN (0.62) RENKCNH2ALDH1A1MEN1KMT2A
SCHEMBL89554 0.90 REN (0.55) RENKCNH2ALDH1A1MEN1KMT2A
SCHEMBL89730 0.90 REN (0.70) RENKCNH2ALDH1A1MEN1KMT2A
SCHEMBL89328 0.90 REN (0.65) RENKCNH2ALDH1A1MEN1KMT2A

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 1/4885KCNH2 415/4885ALDH1A1 38/4885

“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.