SCHEMBL89837

SCHEMBL89837

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@H]3CNC[C@@H](C(=O)NCC4CCCO4)C3)C3CC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.53
ALDH1A1 P00352 7/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 3/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL89487 0.89 REN (0.54) RENALDH1A1HPGDGAAPOLB
SCHEMBL89766 0.89 REN (0.62) RENALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL90127 0.88 REN (0.54) RENALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL89492 0.88 REN (0.56) RENALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL90633 0.88 REN (0.55) RENALDH1A1HPGDGAATSHR
SCHEMBL10283290 0.88 REN (0.58) RENALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL90645 0.88 REN (0.58) RENALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL90632 0.88 REN (0.57) RENALDH1A1HPGDGAATSHR
SCHEMBL8235431 0.88 REN (0.57) RENALDH1A1HPGDGAATSHR
SCHEMBL90079 0.87 REN (0.54) RENALDH1A1GAATSHRPOLB

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 1/4885ALDH1A1 38/4885HPGD 723/4885

“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.