SCHEMBL15044977

SCHEMBL15044977

CCc1cnc(C(C)C)nc1C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
TKT P29401 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.32
APLNR P35414 3/20 0.32
DHFR P00374 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL17721727 0.80 TKT (0.34) NOS3NOS1NOS2TKTTRPM8
SCHEMBL12563208 0.76 POLB (0.33) NOS3NOS1NOS2TKTTRPM8
SCHEMBL12186160 0.74 LMNA (0.42) NOS3NOS1NOS2DHFR
SCHEMBL2737354 0.74 APLNR (0.35) TKTAPLNRPTGS1PTGS2
SCHEMBL12447891 0.74 APLNR (0.35) NOS3NOS1NOS2TKTAPLNR
SCHEMBL15034728 0.72 NUDT1 (0.33) TKTAPLNR
SCHEMBL14998951 0.71 PTGS1 (0.35) TKTAPLNRPTGS1PTGS2
SCHEMBL21374860 0.71 APLNR (0.33) TKTAPLNR
SCHEMBL29333345 0.71 UHRF1 (0.35) NOS3NOS1NOS2TKTAPLNR
SCHEMBL10520740 0.71 NOS3 (0.39) NOS3NOS1NOS2DHFR

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
WO-2023220129-A1 BENZOYPARAZINE PYRAZINES ANE THEIR USES FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed
EP-3468967-B1 COMPOUNDS CONTAINING BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 PRAMANA PHARMACEUTICALS INC (CA) 2023-07-26 EP disclosed
US-8754226-B2 Piperidinyl-substituted lactams as GPR119 modulators ARRAY BIOPHARMA INC. (US) 2014-06-17 US disclosed
US-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-06-20 US disclosed
CN-1039645-C 1,3-(substd. thio) acetoxy Melbamycinum derivatives, their preparation method, and use in agricultural chemistry SANKYO CO (JP) 1998-09-02 CN 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-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR39 NOS3 1860/4885NOS1 1464/4885NOS2 1229/4885

“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.