SCHEMBL14718296

SCHEMBL14718296

Cc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(C(=O)O)CC5)cc4s3)CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
QDPR P09417 2/20 0.34
KCNH2 Q12809 3/20 0.33
LMNA P02545 2/20 0.33
DGAT1 O75907 2/20 0.33
ADORA2A P29274 2/20 0.33
ACACB O00763 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL12178017 0.91 CDK7 (0.42) GPR119SOS1
SCHEMBL2587288 0.84 SCD (0.42) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL2591067 0.84 HRH3 (0.41) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL2588067 0.83 GPR119 (0.43) MAPTMAPK1ACACBNPC1GPR119
SCHEMBL12177992 0.83 GPR119 (0.44) GPR119
SCHEMBL14718719 0.82 GPR119 (0.38) MAPTALDH1A1KDM4EHPGDMAPK1
SCHEMBL14718630 0.82 LRRK2 (0.35) MAPTALDH1A1KDM4EHPGDMAPK1
SCHEMBL14729085 0.82 GPR119 (0.45) GPR119
SCHEMBL14718387 0.82 QDPR (0.36) MAPTALDH1A1QDPRACACBSMN1; SMN2
SCHEMBL14718478 0.79 GPR119 (0.40) CYP2C19GPR119

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 3 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
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 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 (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 MAPT 1165/4885TP53 4228/4885ALDH1A1 2991/4885

“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.