SCHEMBL2591931

SCHEMBL2591931

Cc1nnc(N2CCC(Oc3nc4ccc(Br)cc4s3)CC2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ACACB O00763 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
SCD O00767 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
STAT3 P40763 1/20 0.40
APP P05067 1/20 0.39
POLB P06746 1/20 0.38
OGA O60502 1/20 0.38
TP53 P04637 1/20 0.37
GLS O94925 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL14729107 0.80 HRH3 (0.39) RAB9ANPC1ALDH1A1HRH3GLS
SCHEMBL2591961 0.79 HRH3 (0.36) ALDH1A1SCDHRH3OGAGLS
SCHEMBL2591565 0.76 ACACB (0.53) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL2591067 0.76 HRH3 (0.41) RAB9ANPC1MAPTALDH1A1ACACB
SCHEMBL2583763 0.76 SCD (0.47) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL22131998 0.76 ACACB (0.55) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL2589683 0.75 ACACB (0.55) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL2583770 0.75 ACACB (0.46) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL2591420 0.74 ACACB (0.48) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL2594647 0.74 CDK7 (0.42) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
EP-2566860-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 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-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS GPR119, GPR139, GPR4 RAB9A 579/4885NPC1 967/4885MAPT 1165/4885

“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.