SCHEMBL10137672

SCHEMBL10137672

CC(C)(C)OC(=O)N1CCC(Nc2ccnc(Cl)c2N)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.52
CNR1 P21554 3/20 0.49
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
BRD4 O60885 1/20 0.47
BTK Q06187 1/20 0.47
DYRK1A Q13627 1/20 0.46
ADORA2A P29274 1/20 0.46
GPR119 Q8TDV5 4/20 0.46
USP30 Q70CQ3 1/20 0.46
SYK P43405 1/20 0.45

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
SCHEMBL31437493 0.88 ANO1 (0.46) POLBCNR1BRD4BTKUSP30
SCHEMBL31501718 0.88 ANO1 (0.46) POLBCNR1BRD4BTKUSP30
SCHEMBL27092752 0.84 POLB (0.63) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL9972350 0.83 ALDH1A1 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL304560 0.83 NOS2 (0.44) ALDH1A1NOS1NOS2BTKNOS3
SCHEMBL24368293 0.82 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL5663995 0.82 POLB (0.52) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL29862533 0.82 POLB (0.52) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL26839532 0.81 BTK (0.54) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL10137689 0.81 GPR119 (0.56) ALDH1A1NPC1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476283-B2 [6,5]—bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-02 US disclosed
US-8476283-B2 [6,5]—bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-02 US disclosed
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-03-29 US disclosed
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-03-29 US disclosed
US-8093257-B2 [6,5]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
US-8093257-B2 [6,5]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
US-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2008137436-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-13 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 (2 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-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 ALDH1A1 1913/4885NPC1 720/4885MAPT 4510/4885
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 ALDH1A1 1913/4885NPC1 720/4885MAPT 4510/4885

“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.