SCHEMBL89864

SCHEMBL89864

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@H]3CNC[C@@H](C(=O)NCCCN4CCCC4=O)C3)C3CC3)cc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
ATM Q13315 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
SCHEMBL10283290 0.89 REN (0.58) RENALDH1A1SMN1; SMN2KMT2A
SCHEMBL90645 0.89 REN (0.58) RENALDH1A1SMN1; SMN2KMT2A
SCHEMBL89445 0.89 REN (0.56) RENALDH1A1HPGDKMT2A
SCHEMBL89887 0.88 REN (0.56) RENALDH1A1SMN1; SMN2KMT2A
SCHEMBL89427 0.88 REN (0.43) RENL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL89222 0.87 REN (0.63) RENALDH1A1SMN1; SMN2
SCHEMBL90107 0.87 REN (0.61) RENALDH1A1SMN1; SMN2KMT2A
SCHEMBL89766 0.87 REN (0.62) RENALDH1A1SMN1; SMN2KMT2A
SCHEMBL89544 0.86 REN (0.56) RENALDH1A1HPGDKMT2A
SCHEMBL89856 0.86 REN (0.59) RENALDH1A1SMN1; SMN2KMT2A

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 1/4885L3MBTL1 3031/4885ALDH1A1 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.