SCHEMBL5370308

SCHEMBL5370308

CC(=O)Nc1ccc(C(=O)CCC(=O)N2CCC(N3Cc4cccc(C)c4NC3=O)CC2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 12/20 0.41
CALCA P06881 1/20 0.37
MCHR1 Q99705 3/20 0.36
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5375083 0.88 CALCRL (0.52) CALCRLCALCA
SCHEMBL5367564 0.87 CALCRL (0.43) CALCRLCALCAMCHR1SMN1; SMN2
SCHEMBL5369205 0.85 CALCRL (0.45) CALCRLCALCASMN1; SMN2
SCHEMBL5387757 0.78 CALCRL (0.56) CALCRLCALCA
SCHEMBL5376454 0.75 CALCRL (0.44) CALCRLCALCAKMT2ASMN1; SMN2
SCHEMBL5371697 0.75 CALCRL (0.59) CALCRLCALCA
SCHEMBL5372030 0.75 CALCRL (0.55) CALCRLCALCACYP3A4
SCHEMBL5369994 0.74 HSD11B1 (0.51) CYP2D6
SCHEMBL5378609 0.73 CALCRL (0.54) CALCRLCALCA
SCHEMBL5371970 0.73 CALCRL (0.49) CALCRLSMN1; SMN2

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 9/4885MCHR1 466/4885

“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.