SCHEMBL4245485

SCHEMBL4245485

Fc1ccc(-c2n[nH]cc2CN2CCN(c3ncccc3C(F)(F)F)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.56
EPHX2 P34913 1/20 0.48
PPARG P37231 1/20 0.45
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
RBP4 P02753 1/20 0.44
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4246303 0.87 HTR1A (0.45) HSD11B1HTR1AHTR2AHTR7MAPT
SCHEMBL4244408 0.84 DRD4 (0.49) HTR1AHTR2AHTR7MAPT
SCHEMBL4249777 0.84 KDM4E (0.59) HTR1AHTR2AHTR7TSHRHTT
SCHEMBL4252062 0.81 KDM4E (0.59) HTR1AHTR2AHTR7MAPT
SCHEMBL4253037 0.79 MAPT (0.60) HTR1AHTR2AHTR7MAPT
SCHEMBL4242887 0.78 DRD4 (0.55) HTR1AHTR2AHTR7MAPTTSHR
SCHEMBL4396383 0.78 HTR2C (0.46) HTR2A
SCHEMBL4248453 0.78 KDM4E (0.52) PPARGHTR1AHTR2AHTR7MAPT
SCHEMBL4249824 0.78 HTR1A (0.52) HTR1ARBP4MAPTHSD17B10
SCHEMBL4240754 0.78 MAPT (0.53) HTR1AHTR2AHTR7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
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 HSD11B1 3003/4885EPHX2 3029/4885PPARG 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.