SCHEMBL2659040

SCHEMBL2659040

Clc1ccnc(C2=CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 14/20 0.52
DRD3 P35462 10/20 0.52
DRD2 P14416 9/20 0.52
HTR1A P08908 2/20 0.47
HTR2A P28223 1/20 0.47
HTT P42858 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR6 P50406 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL2708167 0.89 DRD4 (0.55) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL7463234 0.86 DRD4 (0.51) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL4589196 0.79 DRD4 (0.57) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL6969008 0.76 DRD4 (0.61) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL2395932 0.76 DRD4 (0.67) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL15024205 0.75 DRD4 (0.59) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL3097419 0.75 SIGMAR1 (0.44) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL10287534 0.74 SIGMAR1 (0.71) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL6585625 0.73 DRD4 (0.63) DRD4DRD3DRD2HTR1AHTR2A
SCHEMBL29188191 0.73 DRD4 (0.67) DRD4DRD3DRD2HTR1AHTR2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383768-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-09-06 EP disclosed
US-7030128-B2 Central nervous system disorders; anxiolytic agents; anticonvulsants; cognition activators; side effect reduction MERCK SHARP & DOHME LTD. (GB) 2006-04-18 US disclosed
US-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-05-13 US disclosed
EP-1383768-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-28 EP disclosed
WO-2002076983-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-10-03 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-20040092533-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA4 DRD4 251/4885DRD3 175/4885DRD2 162/4885

“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.