SCHEMBL4926313

SCHEMBL4926313

Cc1cc(Cl)nc2c1CCCC2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.60
NOS1 P29475 1/20 0.60
NOS2 P35228 1/20 0.60
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ACHE P22303 14/20 0.44
BCHE P06276 9/20 0.42
GRIN1 Q05586 7/20 0.42
GRIN2A Q12879 7/20 0.42
KDM4E B2RXH2 1/20 0.42
CHRM1 P11229 1/20 0.41
EPHX2 P34913 1/20 0.41
MAPT P10636 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
SCHEMBL29770726 0.96 NOS3 (0.55) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL4928360 0.96 NOS3 (0.55) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL2624108 0.81 ACHE (0.49) NOS3NOS1NOS2ACHEBCHE
SCHEMBL16987421 0.79 ACHE (0.47) NOS3NOS1NOS2ACHEBCHE
SCHEMBL527227 0.78 NOS3 (0.64) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL29621658 0.78 NOS3 (0.64) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL16871986 0.78 ACHE (0.42) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL3467970 0.77 ACHE (0.45) NOS3NOS1NOS2ACHEBCHE
SCHEMBL20417066 0.77 NOS3 (0.62) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL30225174 0.77 ACHE (0.45) NOS3NOS1NOS2ACHEBCHE

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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US disclosed
WO-2006035967-A1 PYRIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS FOR TREATING DISEASES RELATED TO MCH RECEPTOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 NOS3 1226/4885NOS1 753/4885NOS2 1099/4885

“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.