SCHEMBL1608427

SCHEMBL1608427

N#Cc1ccc(C2(NC(=O)O)CCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.42
DPP4 P27487 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CYP19A1 P11511 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
SSTR4 P31391 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
PGR P06401 2/20 0.36
POLB P06746 1/20 0.36
EPHX1 P07099 1/20 0.36
CXCR3 P49682 1/20 0.36
TACR3 P29371 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
SCHEMBL9900730 0.93 VNN1 (0.40) VNN1NPC1RAB9ACA1CA2
SCHEMBL1899666 0.84 CTSL (0.38) VNN1DPP4SSTR4TACR3
SCHEMBL13254923 0.83 SSTR4 (0.42) VNN1DPP4NPC1RAB9ASSTR4
SCHEMBL14876759 0.80 PGR (0.40) OPRM1OPRD1OPRK1OPRL1PGR
SCHEMBL14876760 0.80 PGR (0.40) OPRM1OPRD1OPRK1OPRL1PGR
SCHEMBL2712662 0.79 SSTR4 (0.53) DPP4SSTR4HTTPOLBTACR3
SCHEMBL20556976 0.79 HTT (0.50) CA1CA2GAAHTTPGR
SCHEMBL23908251 0.79 CTSL (0.47) NPC1RAB9AOPRM1OPRD1GAA
SCHEMBL23224333 0.79 ADRB2 (0.36) VNN1GAAHTTPGR
SCHEMBL361749 0.79 AKT1 (0.40) VNN1PGR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2802586-B1 SUBSTITUTED IMIDAZOPYRAZINES AS AKT KINASE INHIBITORS BAYER IP GMBH (DE) 2016-05-25 EP disclosed
US-9260435-B2 Substituted imidazopyrazines as Akt kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-16 US disclosed
US-9206185-B2 Imidazopyridazines as Akt kinase inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
EP-2694510-B1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS BAYER IP GMBH (DE) 2015-10-14 EP disclosed
US-20150005309-A1 SUBSTITUTED IMIDAZOPYRAZINES AS AKT KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-01 US disclosed
EP-2802586-A1 SUBSTITUTED IMIDAZOPYRAZINES AS AKT KINASE INHIBITORS Bayer Intellectual Property GmbH (DE) 2014-11-19 EP disclosed
US-20140113901-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-24 US disclosed
EP-2694510-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS Bayer Intellectual Property GmbH (DE) 2014-02-12 EP disclosed
WO-2013104610-A1 SUBSTITUTED IMIDAZOPYRAZINES AS AKT KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 WO disclosed
WO-2012136776-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-11 WO disclosed
US-20110082135-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2011-04-07 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 (3 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-20110082135-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, AKT1S1, AKT1 VNN1 2872/4885DPP4 1956/4885NPC1 1662/4885
US-20150005309-A1 SUBSTITUTED IMIDAZOPYRAZINES AS AKT KINASE INHIBITORS PIK3CA, PIK3CD, PI4KA VNN1 4518/4885DPP4 1612/4885NPC1 1244/4885
US-20140113901-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS PI4KA, PI4KB, PIK3CD VNN1 3537/4885DPP4 699/4885NPC1 2380/4885

“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.