SCHEMBL4400914

SCHEMBL4400914

Fc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(Cl)cn3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.52
DRD4 P21917 8/20 0.52
DRD3 P35462 7/20 0.52
SIGMAR1 Q99720 6/20 0.52
TMEM97 Q5BJF2 5/20 0.52
HTR1A P08908 4/20 0.52
HTR2A P28223 4/20 0.52
HTR2C P28335 4/20 0.52
HTR7 P34969 4/20 0.52
MAPT P10636 3/20 0.50
ALDH1A1 P00352 1/20 0.50
SLC6A4 P31645 2/20 0.46
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CNR2 P34972 1/20 0.40
NPC1 O15118 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
SCHEMBL4245287 0.87 MAPT (0.42) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL4246582 0.87 DRD3 (0.54) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL4240910 0.87 MAPT (0.42) DRD2DRD4DRD3SIGMAR1TMEM97
SCHEMBL4248577 0.87 MAPT (0.45) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL4249833 0.87 GPR39 (0.48) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL4252387 0.86 SMN1; SMN2 (0.53) DRD4MAPTPPARGPPARDPPARA
SCHEMBL4245098 0.85 OPRM1 (0.45) DRD2DRD4DRD3SIGMAR1TMEM97
SCHEMBL4248465 0.85 SMO (0.46) DRD2DRD4DRD3MAPTKDM4E
SCHEMBL4394614 0.84 MAPT (0.59) DRD2DRD4DRD3SIGMAR1TMEM97
SCHEMBL4246703 0.84 OPRM1 (0.50) DRD2DRD4DRD3SIGMAR1TMEM97

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 4 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
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

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 DRD2 4806/4885DRD4 4818/4885DRD3 4698/4885

“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.