SCHEMBL6294540

SCHEMBL6294540

CN(C)CC1CCC2(CC1=O)OCCCO2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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 SCHEMBL6294522 0.98 GPR119 (0.32) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL6674529 0.93 GPR119 (0.30) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL6293275 0.84
SCHEMBL13513085 0.69 POLB (0.33)
SCHEMBL4667157 0.69 METAP1 (0.30)
Hydrochloric Acid SCHEMBL8022324 0.68 CCR6 (0.32)
SCHEMBL14224029 0.66 POLB (0.35)
SCHEMBL6865770 0.65 HTR6 (0.39)
SCHEMBL4631245 0.65 HTR6 (0.39)
SCHEMBL13899831 0.65

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-6890959-B2 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2005-05-10 US disclosed
EP-1246791-B1 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-10-27 EP disclosed
US-20030096811-A1 Aminomethyl-phenyl-cyclohexanone derivatives GRUENENTHAL GMBH (DE) 2003-05-22 US disclosed
EP-1246791-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2002-10-09 EP disclosed
WO-2001049651-A2 AMINOMETHYL-PHENYL-CYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2001-07-12 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-20030096811-A1 Aminomethyl-phenyl-cyclohexanone derivatives CYP2J2, CYP2E1, CYP2D6 GPR119 736/4885CHRM2 371/4885CHRM4 1299/4885

“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.