SCHEMBL5371194

SCHEMBL5371194

O=C(C=CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.47
CHRM4 P08173 1/20 0.45
CALCRL Q16602 15/20 0.45
RAMP1 O60894 4/20 0.45
PYGL P06737 2/20 0.43
PYGM P11217 2/20 0.43

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
SCHEMBL5371188 1.00 CTSS (0.47) CTSSCHRM4CALCRLRAMP1PYGL
SCHEMBL5378529 0.92 CTSS (0.46) CTSSCHRM4CALCRLRAMP1
SCHEMBL5378525 0.92 CTSS (0.46) CTSSCHRM4CALCRLRAMP1
SCHEMBL5365809 0.89 CALCRL (0.44) CTSSCHRM4CALCRLRAMP1
SCHEMBL5365818 0.89 CALCRL (0.44) CTSSCHRM4CALCRLRAMP1
SCHEMBL5368042 0.87 CALCRL (0.46) CTSSCHRM4CALCRLRAMP1
SCHEMBL5368053 0.87 CALCRL (0.46) CTSSCHRM4CALCRLRAMP1
SCHEMBL5378316 0.86 CALCRL (0.46) CHRM4CALCRLRAMP1
SCHEMBL5378323 0.86 CALCRL (0.46) CHRM4CALCRLRAMP1
SCHEMBL5375102 0.86 CALCRL (0.50) 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 CTSS 558/4885CHRM4 461/4885CALCRL 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.