SCHEMBL4891684

SCHEMBL4891684

CC(C)c1nc(Nc2cccc(Cl)c2)ncc1CNCC1CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.53
CYP3A4 P08684 4/20 0.49
CYP2C9 P11712 4/20 0.49
CYP2C19 P33261 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
PRKCQ Q04759 2/20 0.48
GRM5 P41594 3/20 0.43
MAOB P27338 2/20 0.43
SYK P43405 1/20 0.43
POLB P06746 1/20 0.41
MAOA P21397 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 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
Hydrochloric Acid SCHEMBL4884812 0.99 CNR2 (0.52) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL14026111 0.96 CNR2 (0.54) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL4895110 0.95 CNR2 (0.54) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL14026185 0.86 CNR2 (0.60) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL14026109 0.85 GRM5 (0.45) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL14026177 0.84 GRM5 (0.46) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL14026110 0.83 CNR2 (0.55) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL4897310 0.83 GRM5 (0.45) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL4891634 0.82 SYK (0.50) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL14026115 0.82 HTT (0.44) CNR2GRM5MAOBSYKMAOA

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
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
EP-1718620-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-11-08 EP disclosed
WO-2005080350-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-09-01 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-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators CNR2, CNR1, P2RY2 CNR2 1/4885CYP3A4 1614/4885CYP2C9 729/4885

“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.