SCHEMBL4254056

SCHEMBL4254056

c1ccc(-c2n[nH]cc2CN2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.56
KMT2A Q03164 3/20 0.56
DRD2 P14416 3/20 0.56
DRD3 P35462 1/20 0.56
HTT P42858 3/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 5/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
OPRK1 P41145 1/20 0.47

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
SCHEMBL4252062 0.91 KDM4E (0.59) DRD4DRD2DRD3MAPTKDM4E
SCHEMBL4244480 0.89 LMNA (0.55) DRD4KMT2ADRD2DRD3HTT
SCHEMBL31010276 0.79 CYP2D6 (0.48) KMT2AHTTMAPTNPC1RAB9A
SCHEMBL4753320 0.78 HTR7 (0.65) DRD4KMT2ADRD2DRD3HTT
SCHEMBL4249777 0.77 KDM4E (0.59) DRD4KMT2ADRD2DRD3HTT
SCHEMBL4244867 0.77 DRD4 (0.61) DRD4KMT2ADRD2DRD3HTT
SCHEMBL4250371 0.76 HTR7 (0.65) DRD4KMT2ADRD2DRD3HTT
SCHEMBL6853309 0.76 DRD4 (0.52) DRD4KMT2ADRD2DRD3HTT
SCHEMBL4251252 0.76 DRD4 (0.59) DRD4DRD2DRD3MAPTALDH1A1
SCHEMBL13219071 0.75 ALDH1A1 (0.74) DRD4KMT2ADRD2DRD3HTT

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 4818/4885KMT2A 2991/4885DRD2 4806/4885

“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.