SCHEMBL423267

SCHEMBL423267

NC1CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.60
OPRM1 P35372 3/20 0.50
MEN1 O00255 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
GRIN1 Q05586 1/20 0.47
KCNH2 Q12809 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 8/20 0.45
MAOA P21397 4/20 0.45

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
SCHEMBL30078436 0.89 OPRL1 (0.50) OPRL1OPRM1
SCHEMBL11572399 0.87 OPRL1 (0.52) OPRL1OPRM1MAPK1SMN1; SMN2MAOB
Hydrochloric Acid SCHEMBL11569798 0.85 OPRL1 (0.50) OPRL1MAPK1SMN1; SMN2MAOBMAOA
SCHEMBL4711668 0.80 OPRL1 (0.58) OPRL1
SCHEMBL6659414 0.78 OPRL1 (0.56) OPRL1OPRM1MAOBMAOA
SCHEMBL6659407 0.78 OPRL1 (0.56) OPRL1OPRM1MAOBMAOA
SCHEMBL14337143 0.78 OPRL1 (0.67) OPRL1MAOBMAOAKDM1A
Hydrochloric Acid SCHEMBL27606531 0.78 OPRL1 (0.56) OPRL1MAOBMAOAKDM1A
SCHEMBL6659416 0.78 OPRL1 (0.56) OPRL1OPRM1MAOBMAOA
SCHEMBL11571053 0.78 KDM1A (0.47) OPRL1MAPK1SMN1; SMN2MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
EP-2412708-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-02-01 EP disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
EP-1069132-B1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-10-01 EP disclosed
EP-1069132-A1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-01-17 EP disclosed
EP-0445749-B1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1996-07-10 EP 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-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE ENDOD1, CNBP, DPP4 OPRL1 4852/4885OPRM1 4291/4885MEN1 4625/4885

“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.