SCHEMBL4399772

SCHEMBL4399772

Cc1ccc(N2CCN(Cc3c[nH]nc3-c3ccc(C#N)cc3)CC2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.43
DRD2 P14416 10/20 0.43
DRD3 P35462 9/20 0.43
HTR1A P08908 2/20 0.42
ADRA2C P18825 1/20 0.42
HTR2A P28223 1/20 0.42
DGAT1 O75907 1/20 0.42
ADRB1 P08588 1/20 0.40
KDM1A O60341 2/20 0.39
MAP4K1 Q92918 1/20 0.39
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL4243305 0.86 MAPT (0.48) DRD4DRD2DRD3HTR1AADRA2C
SCHEMBL4246264 0.82 DRD2 (0.48) DRD4DRD2DRD3MAPKAPK2
SCHEMBL4246064 0.79 PPARD (0.42) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL4390463 0.78 LRRK2 (0.45) DRD4DRD2DRD3KDM1AHRH1
SCHEMBL4249833 0.75 GPR39 (0.48) DRD4DRD2DRD3
SCHEMBL4253037 0.74 MAPT (0.60) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL4391668 0.74 MAPT (0.54) DRD4DRD2DRD3HTR1AHTR2A
SCHEMBL4071799 0.73 MAOB (0.50) DRD4KDM1A
SCHEMBL12204385 0.73 MEN1 (0.60) DRD4DRD2DRD3
SCHEMBL4248465 0.73 SMO (0.46) DRD4DRD2DRD3

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 2 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
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US 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 DRD4 4818/4885DRD2 4806/4885DRD3 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.