SCHEMBL4240754

SCHEMBL4240754

Fc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
HTR2A P28223 3/20 0.51
HTR7 P34969 2/20 0.51
HTR6 P50406 1/20 0.51
HTR1A P08908 3/20 0.50
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
LMNA P02545 2/20 0.48
CACNA1G O43497 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
DRD4 P21917 1/20 0.45
RPS6KB1 P23443 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4253037 0.93 MAPT (0.60) MAPTHTR2AHTR7HTR1ADRD2
SCHEMBL4391668 0.87 MAPT (0.54) MAPTHTR2AHTR7HTR1ADRD2
SCHEMBL4240900 0.87 MAPT (0.54) MAPTHTR2AHTR7HTR1ADRD2
SCHEMBL4396325 0.87 MAPT (0.54) MAPTHTR2AHTR7HTR1ADRD2
SCHEMBL4394614 0.87 MAPT (0.59) MAPTHTR2AHTR7HTR6HTR1A
SCHEMBL4254360 0.87 HTR7 (0.56) MAPTHTR7L3MBTL1LMNAALDH1A1
SCHEMBL4245787 0.85 MAPT (0.67) MAPTDRD3L3MBTL1LMNAALDH1A1
SCHEMBL4395226 0.85 MAPT (0.67) MAPTDRD3L3MBTL1LMNAALDH1A1
SCHEMBL4252387 0.85 SMN1; SMN2 (0.53) MAPTL3MBTL1LMNAKDM4EDRD4
SCHEMBL4249510 0.83 MAPT (0.45) MAPTHTR2AHTR7HTR1ADRD2

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 MAPT 3880/4885HTR2A 4524/4885HTR7 4640/4885

“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.