SCHEMBL5366294

SCHEMBL5366294

Nc1c(Br)cc(C(=O)CCC(=O)N2CCC(N3Cc4sccc4NC3=O)CC2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 15/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 1/20 0.35
▸ CALCA P06881 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

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 0.84 CALCRL (0.57) CALCRLCALCA
SCHEMBL5374641 0.84 CALCRL (0.43) CALCRLSMN1; SMN2CALCA
SCHEMBL5365954 0.83 CALCRL (0.48) CALCRLSMN1; SMN2CALCAMCHR1
SCHEMBL5371178 0.83 CALCRL (0.46) CALCRLSMN1; SMN2KMT2ACALCAMCHR1
SCHEMBL5371647 0.82 CALCRL (0.44) CALCRLSMN1; SMN2KMT2ACALCAMCHR1
SCHEMBL5371673 0.82 CALCRL (0.46) CALCRLSMN1; SMN2CALCAMCHR1
SCHEMBL5369879 0.82 CALCRL (0.48) CALCRLSMN1; SMN2CALCAMCHR1HRH3
SCHEMBL5373259 0.81 CALCRL (0.47) CALCRLSMN1; SMN2CALCA
SCHEMBL14410309 0.81 CALCRL (0.47) CALCRLSMN1; SMN2CALCAMCHR1
SCHEMBL5383010 0.81 CALCRL (0.54) 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 4/4885SMN1; SMN2 3515/4885KMT2A 4461/4885

“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.

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