SCHEMBL2032267

SCHEMBL2032267

CC(C)(C)N(C(=O)O)C1(c2ccc(Br)cc2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.37
OPRL1 P41146 4/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 2/20 0.37
MAPK1 P28482 4/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RORC P51449 1/20 0.32
HDAC1 Q13547 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2696940 0.94 OPRM1 (0.42) OPRM1OPRL1OPRD1OPRK1MAPK1
SCHEMBL2189905 0.85 ALDH1A1 (0.36) OPRM1OPRL1ALDH1A1POLBL3MBTL1
SCHEMBL1352136 0.85 CCR2 (0.43) OPRM1OPRD1OPRK1MAPTALDH1A1
SCHEMBL30901672 0.84 KCNN4 (0.34) OPRM1OPRL1OPRD1OPRK1GAA
SCHEMBL1538752 0.84 GAA (0.35) OPRM1OPRL1OPRD1OPRK1MAPK1
SCHEMBL2699594 0.84 OPRM1 (0.34) OPRM1OPRL1OPRD1OPRK1MAPK1
SCHEMBL1559660 0.82 OPRM1 (0.33) OPRM1OPRL1OPRD1OPRK1MAPK1
SCHEMBL1606691 0.82 OPRM1 (0.33) OPRM1OPRL1OPRD1OPRK1MAPK1
SCHEMBL1606689 0.82 OPRM1 (0.33) OPRM1OPRL1OPRD1OPRK1MAPK1
SCHEMBL14915861 0.82 OPRM1 (0.33) OPRM1OPRL1OPRD1OPRK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122748-B1 PROCESS OF PREPARING 3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-5-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)PYRIDIN-2-AMINE ARQULE INC (US) 2018-09-26 EP claimed
US-20150266876-A1 PROCESS OF PREPARING 3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-5-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)PYRIDIN-2-AMINE ARQULE, INC. 2015-09-24 US claimed
US-9604989-B2 Imidazopyridazines as Akt kinase inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-28 US disclosed
US-20150368250-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-24 US disclosed
US-20150266876-A1 PROCESS OF PREPARING 3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-5-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)PYRIDIN-2-AMINE ARQULE, INC. 2015-09-24 US disclosed
US-20130287763-A1 COMBINATION THERAPY FOR TREATING CANCER COMPRISING AN IGF-1R INHIBITOR AND AN AKT INHIBITOR MERCK SHARP & DOHME CORP. (US) 2013-10-31 US disclosed
US-8288407-B2 Substituted naphthyridine compounds as inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2012-10-16 US disclosed
WO-2011077098-A1 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2011-06-30 WO disclosed
US-20110160183-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2011-06-30 US disclosed
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-7576209-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-20080161317-A1 Inhibitors of Akt activity MERCK SHARP & DOHME LLC 2008-07-03 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 (6 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-20080161317-A1 Inhibitors of Akt activity PIK3CD, PIK3CA, PIK3CG OPRM1 4732/4885OPRL1 4397/4885OPRD1 3774/4885
US-20150266876-A1 PROCESS OF PREPARING 3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-5-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)PYRIDIN-2-AMINE PIR, PAH, PNMT OPRM1 1386/4885OPRL1 2645/4885OPRD1 1644/4885
US-20150368250-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS PI4KA, PI4KB, PIK3CD OPRM1 4180/4885OPRL1 4469/4885OPRD1 3294/4885
US-20110160183-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG OPRM1 4732/4885OPRL1 4397/4885OPRD1 3774/4885
US-20130287763-A1 COMBINATION THERAPY FOR TREATING CANCER COMPRISING AN IGF-1R INHIBITOR AND AN AKT INHIBITOR IGF1R, IGFBP1, IGFBP2 OPRM1 4278/4885OPRL1 2660/4885OPRD1 4321/4885
US-20090253734-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG OPRM1 4732/4885OPRL1 4397/4885OPRD1 3774/4885

“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.