SCHEMBL2592476

SCHEMBL2592476

O=C(O)N1CCC(Oc2nc3ncc(Br)cc3s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
IKBKB O14920 2/20 0.38
HMOX1 P09601 1/20 0.38
ACACB O00763 4/20 0.36
SCD O00767 2/20 0.34
AADAT Q8N5Z0 3/20 0.34
CHUK O15111 1/20 0.34
LTA4H P09960 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SCD5 Q86SK9 1/20 0.33
CHRM5 P08912 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL12178005 0.85 GPR119 (0.45)
SCHEMBL2589683 0.80 ACACB (0.55) ACACBNPC1RAB9A
SCHEMBL2583764 0.78 HRH3 (0.42) HRH3IKBKBACACBCHUKLTA4H
SCHEMBL2775875 0.74 HMOX1 (0.60) IKBKBHMOX1ACACBSCD5
SCHEMBL2591704 0.74 GPR119 (0.44) HRH3ACACBLTA4HKDM4ENPC1
SCHEMBL7958453 0.73 HRH3 (0.44) HRH3ACACBLTA4H
SCHEMBL8515255 0.71 FFAR4 (0.38) IKBKBHMOX1SCDCHUKSCD5
SCHEMBL4056560 0.71 DGAT1 (0.47) HMOX1
SCHEMBL17555503 0.71 L3MBTL4 (0.43) IKBKBHMOX1CHUKSCD5
SCHEMBL5267504 0.70 HRH3 (0.43) HRH3SCD5NPC1RAB9A

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-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-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
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 HRH3 522/4885IKBKB 2127/4885HMOX1 4152/4885

“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.