SCHEMBL304703

SCHEMBL304703

O=C(O)N1CCC(Nc2ccnc(Cl)c2[N+](=O)[O-])CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.39
MAPK1 P28482 2/20 0.39
NOS1 P29475 4/20 0.39
NOS2 P35228 4/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
DCTPP1 Q9H773 1/20 0.37
NOS3 P29474 3/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CUL4A Q13619 1/20 0.35
JAK3 P52333 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
SCHEMBL304702 1.00 HCAR3 (0.39) HCAR3MAPK1NOS1NOS2KMT2A
SCHEMBL28076726 0.93 JAK3 (0.40) HCAR3MAPK1NOS1NOS2KMT2A
SCHEMBL28076725 0.93 JAK3 (0.40) HCAR3MAPK1NOS1NOS2KMT2A
SCHEMBL18285528 0.87 JAK3 (0.47) HCAR3KMT2AMEN1CUL4AJAK3
SCHEMBL18285533 0.87 JAK3 (0.47) HCAR3KMT2AMEN1CUL4AJAK3
SCHEMBL18285531 0.87 JAK3 (0.47) HCAR3KMT2AMEN1CUL4AJAK3
SCHEMBL9972350 0.84 ALDH1A1 (0.50) MAPK1NOS1NOS2MAPTRAB9A
SCHEMBL28908277 0.82 KMT2A (0.53) HCAR3MAPK1KMT2AMEN1MAPT
SCHEMBL19917187 0.81 KMT2A (0.56) HCAR3MAPK1KMT2AMEN1MAPT
SCHEMBL304560 0.81 NOS2 (0.44) NOS1NOS2KMT2AMEN1NOS3

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-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
US-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 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 (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 HCAR3 144/4885MAPK1 2245/4885NOS1 2062/4885
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 HCAR3 144/4885MAPK1 2245/4885NOS1 2062/4885

“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.