SCHEMBL5369795

SCHEMBL5369795

Nc1c(Br)cc(C(=O)CCC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.49
RAMP1 O60894 2/20 0.46
CYP3A4 P08684 3/20 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
SCHEMBL5383149 0.92 CALCRL (0.57) CALCRLRAMP1
SCHEMBL5383010 0.89 CALCRL (0.54) CALCRLCYP3A4
SCHEMBL5374739 0.86 CALCRL (0.54) CALCRLRAMP1
SCHEMBL5368057 0.86 CALCRL (0.56) CALCRLRAMP1
SCHEMBL5374742 0.86 CALCRL (0.54) CALCRLRAMP1
SCHEMBL5374732 0.86 CALCRL (0.41) CALCRLRAMP1CYP3A4
SCHEMBL6480231 0.85 CALCRL (0.47) CALCRLRAMP1CYP3A4
SCHEMBL6480236 0.85 CALCRL (0.47) CALCRLRAMP1CYP3A4
SCHEMBL5370267 0.85 CALCRL (0.48) CALCRLRAMP1
SCHEMBL14410310 0.85 CALCRL (0.48) CALCRLRAMP1

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-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 CALCRL 4/4885RAMP1 19/4885CYP3A4 565/4885

“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.