SCHEMBL304560

SCHEMBL304560

Nc1c(NC2CCN(C(=O)O)CC2)ccnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.44
NOS1 P29475 6/20 0.44
NOS3 P29474 4/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
JAK3 P52333 1/20 0.37
PAK1 Q13153 4/20 0.36
EPHX2 P34913 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KMT5B Q4FZB7 1/20 0.36
KMT5C Q86Y97 1/20 0.36
BTK Q06187 1/20 0.35
MAP4K4 O95819 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
SCHEMBL10137672 0.83 ALDH1A1 (0.54) NOS2NOS1NOS3ALDH1A1BTK
SCHEMBL3063816 0.82 ALDH1A1 (0.46) NOS2NOS1KMT2AMEN1ALDH1A1
SCHEMBL304702 0.81 HCAR3 (0.39) NOS2NOS1NOS3KMT2AKDM4E
SCHEMBL304703 0.81 HCAR3 (0.39) NOS2NOS1NOS3KMT2AKDM4E
Ammonia Solution, Strong SCHEMBL28775699 0.81 ALDH1A1 (0.45) NOS2NOS1KMT2AMEN1ALDH1A1
SCHEMBL303845 0.78 PAK1 (0.47) ALDH1A1PAK1BTK
SCHEMBL19917166 0.78 KMT5B (0.52) KMT2AKDM4EMEN1ALDH1A1KMT5B
SCHEMBL788473 0.76 SHMT2 (0.44) NOS2NOS1NOS3KMT2AKDM4E
SCHEMBL28076726 0.74 JAK3 (0.40) NOS2NOS1KMT2AMEN1JAK3
SCHEMBL28076725 0.74 JAK3 (0.40) NOS2NOS1KMT2AMEN1JAK3

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 7 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
EP-2152707-B1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-06-20 EP 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
EP-2152707-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2010-02-17 EP 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 NOS2 2375/4885NOS1 2062/4885NOS3 2513/4885
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 NOS2 2375/4885NOS1 2062/4885NOS3 2513/4885

“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.