SCHEMBL4244867

SCHEMBL4244867

CCOc1ccccc1N1CCN(Cc2c[nH]nc2-c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.61
DRD2 P14416 6/20 0.61
DRD3 P35462 6/20 0.61
POLB P06746 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
TSHR P16473 2/20 0.55
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTR7 P34969 1/20 0.51

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
SCHEMBL4252223 0.93 POLB (0.68) DRD4DRD2DRD3POLBNPSR1
SCHEMBL4247969 0.91 ALDH1A1 (0.57) DRD4DRD2DRD3POLBNPSR1
SCHEMBL4250371 0.89 HTR7 (0.65) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL4254706 0.81 MAPK1 (0.67) DRD4DRD2DRD3POLBNPSR1
SCHEMBL4251913 0.81 HTR7 (0.67) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL15937912 0.80 HTR7 (0.77) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL29764250 0.80 HTR7 (0.77) DRD4DRD2DRD3ALDH1A1KDM4E
SCHEMBL4242887 0.77 DRD4 (0.55) DRD4DRD2DRD3POLBNPSR1
SCHEMBL4254056 0.77 DRD4 (0.56) DRD4DRD2DRD3POLBNPSR1
SCHEMBL31010276 0.75 CYP2D6 (0.48) ALDH1A1KDM4EKMT2AMEN1HTT

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 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 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.