SCHEMBL5374829

SCHEMBL5374829

CCOC(=O)c1ccc(C(=O)/C=C/C(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.50
CHRM1 P11229 1/20 0.50
CALCRL Q16602 17/20 0.46
RAMP1 O60894 5/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL5374830 1.00 CHRM4 (0.50) CHRM4CHRM1CALCRLRAMP1SMN1; SMN2
SCHEMBL5369791 0.86 CALCRL (0.45) CHRM4CHRM1CALCRLRAMP1
SCHEMBL5378316 0.86 CALCRL (0.46) CHRM4CALCRLRAMP1
SCHEMBL5375107 0.86 CALCRL (0.50) CHRM4CALCRLRAMP1
SCHEMBL5375102 0.86 CALCRL (0.50) CHRM4CALCRLRAMP1
SCHEMBL5378323 0.86 CALCRL (0.46) CHRM4CALCRLRAMP1
SCHEMBL5377892 0.85 CALCRL (0.47) CHRM4CALCRLRAMP1
SCHEMBL5372064 0.85 CALCRL (0.45) CHRM4CALCRLRAMP1
SCHEMBL5372060 0.85 CALCRL (0.45) CHRM4CALCRLRAMP1
SCHEMBL5377885 0.85 CALCRL (0.47) CHRM4CALCRLRAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US claimed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 CHRM4 461/4885CHRM1 67/4885CALCRL 4/4885

“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.