SCHEMBL5387872

SCHEMBL5387872

C[C@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)c1cc(Br)c(N)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.52
CALCA P06881 1/20 0.49

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
SCHEMBL5387867 1.00 CALCRL (0.52) CALCRLCALCA
SCHEMBL5378788 0.86 CALCRL (0.51) CALCRLCALCA
SCHEMBL5378783 0.86 CALCRL (0.51) CALCRLCALCA
SCHEMBL5383149 0.84 CALCRL (0.57) CALCRLCALCA
SCHEMBL3961730 0.83 CALCRL (0.57) CALCRL
SCHEMBL3961729 0.83 CALCRL (0.57) CALCRL
SCHEMBL5383297 0.83 CALCA (0.51) CALCRLCALCA
SCHEMBL5368057 0.82 CALCRL (0.56) CALCRLCALCA
SCHEMBL5371594 0.82 CALCRL (0.50) CALCRLCALCA
SCHEMBL6709163 0.82 CALCRL (0.55) CALCRLCALCA

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 4/4885CALCA 9/4885

“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.