SCHEMBL4246703

SCHEMBL4246703

O=C(O)c1ccc(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
PPARG P37231 2/20 0.44
DRD4 P21917 4/20 0.43
DRD3 P35462 4/20 0.43
HTR1A P08908 3/20 0.43
DRD2 P14416 3/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 2/20 0.43
HTR7 P34969 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
PRKAA2 P54646 3/20 0.42
PPARA Q07869 1/20 0.41
SSTR5 P35346 2/20 0.41
SLC6A4 P31645 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4245772 0.91 OPRM1 (0.62) OPRM1OPRK1PPARGDRD4DRD3
SCHEMBL4241368 0.91 OPRM1 (0.49) OPRM1OPRK1PPARGDRD4DRD3
SCHEMBL4245098 0.84 OPRM1 (0.45) OPRM1OPRK1PPARGDRD4DRD3
SCHEMBL4240910 0.84 MAPT (0.42) OPRM1OPRK1PPARGDRD4DRD3
SCHEMBL4400914 0.84 DRD2 (0.52) OPRM1OPRK1PPARGDRD4DRD3
SCHEMBL4246582 0.84 DRD3 (0.54) OPRM1OPRK1PPARGDRD4DRD3
SCHEMBL4245287 0.84 MAPT (0.42) OPRM1OPRK1PPARGDRD4DRD3
SCHEMBL4248577 0.84 MAPT (0.45) OPRM1OPRK1PPARGDRD4DRD3
SCHEMBL28781388 0.83 MAPK1 (0.43) OPRM1OPRK1PPARGDRD4DRD3
SCHEMBL4252387 0.83 SMN1; SMN2 (0.53) PPARGDRD4PRKAA2PPARAL3MBTL1

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
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN claimed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP claimed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN disclosed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 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 (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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 OPRM1 4802/4885OPRK1 3697/4885PPARG 3732/4885

“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.