SCHEMBL2591067

SCHEMBL2591067

Cc1nnc(N2CCC(Oc3nc4ccc(C5=CCN(C(=O)O)CC5)cc4s3)CC2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
TP53 P04637 5/20 0.38
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
MITF O75030 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GLS O94925 3/20 0.36
LMNA P02545 2/20 0.35
LIPG Q9Y5X9 1/20 0.35
POLB P06746 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
SCHEMBL2594647 0.90 CDK7 (0.42) HRH3LIPG
SCHEMBL14718296 0.84 MAPT (0.36) HRH3TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL14718387 0.84 QDPR (0.36) MAPTSMN1; SMN2ALDH1A1LIPGQDPR
SCHEMBL2591961 0.83 HRH3 (0.36) HRH3ALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL14728906 0.83 GPR119 (0.42) HRH3ALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL2594012 0.82 GPR119 (0.35) HRH3LIPG
SCHEMBL2587288 0.82 SCD (0.42) TP53MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL2594731 0.81 GPR119 (0.36) HRH3LIPG
SCHEMBL2588067 0.81 GPR119 (0.43) MAPTNPC1ACACB
SCHEMBL14729002 0.80 GPR119 (0.35) HRH3LIPG

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 522/4885TP53 4228/4885MAPT 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.