SCHEMBL56025

SCHEMBL56025

Nc1cccc(C[C@@H](N)CO)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
MAOA P21397 3/20 0.47
MAOB P27338 2/20 0.47
CYP19A1 P11511 1/20 0.46
ANPEP P15144 2/20 0.42
ENPEP Q07075 1/20 0.42
ADRB2 P07550 4/20 0.41
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PNMT P11086 1/20 0.39

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
SCHEMBL30537984 1.00 EPHX1 (0.48) EPHX1MAOAMAOBCYP19A1ANPEP
SCHEMBL16836836 1.00 EPHX1 (0.48) EPHX1MAOAMAOBCYP19A1ANPEP
SCHEMBL56469 1.00 EPHX1 (0.48) EPHX1MAOAMAOBCYP19A1ANPEP
Hydrochloric Acid SCHEMBL17337635 0.98 MAOA (0.48) EPHX1MAOAMAOBCYP19A1ANPEP
Hydrochloric Acid SCHEMBL29643000 0.98 MAOA (0.48) EPHX1MAOAMAOBCYP19A1ANPEP
SCHEMBL11693891 0.81 ENPP2 (0.53) EPHX1ANPEPENPEPCYP3A4SLC6A2
SCHEMBL10832585 0.81 ENPP2 (0.53) EPHX1ANPEPENPEPCYP3A4SLC6A2
SCHEMBL2171476 0.81 MAOA (0.47) EPHX1MAOAMAOBCYP19A1ADRB2
SCHEMBL21368939 0.80 MAOB (0.50) MAOAMAOBCYP19A1ADRB2CYP3A4
SCHEMBL4853320 0.79 TAAR1 (0.48) EPHX1MAOAMAOBANPEPENPEP

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
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
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP 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 EPHX1 363/4885MAOA 111/4885MAOB 60/4885

“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.