SCHEMBL5374732

SCHEMBL5374732

COc1ccc2c(c1)CCN(C1CCN(C(=O)CCC(=O)c3cc(Br)c(N)c(Br)c3)CC1)C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
RAMP1 O60894 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
OXTR P30559 1/20 0.37
MCHR1 Q99705 2/20 0.36
MTNR1B P49286 2/20 0.36
CBX7 O95931 1/20 0.35
CDYL2 Q8N8U2 1/20 0.35
CDYL Q9Y232 1/20 0.35
ACHE P22303 2/20 0.35
RYR2 Q92736 1/20 0.35
CYP3A4 P08684 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
SCHEMBL5369795 0.86 CALCRL (0.49) CALCRLRAMP1CYP3A4
SCHEMBL13907937 0.85 ALDH1A1 (0.38) CALCRLSMN1; SMN2ALDH1A1GLAALOX15
SCHEMBL3958975 0.82 CALCRL (0.43) CALCRLSMN1; SMN2ALDH1A1GLAALOX15
SCHEMBL3959526 0.82 CALCRL (0.42) CALCRLSMN1; SMN2ALDH1A1GLAALOX15
SCHEMBL3964188 0.81 CBX7 (0.39) CALCRLSMN1; SMN2ALDH1A1GLAALOX15
SCHEMBL5376418 0.81 CALCRL (0.44) CALCRLSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL5365954 0.80 CALCRL (0.48) CALCRLSMN1; SMN2RAMP1MCHR1
SCHEMBL6479674 0.80 CALCRL (0.39) CALCRLALDH1A1RAMP1CYP3A4
SCHEMBL6479678 0.80 CALCRL (0.39) CALCRLALDH1A1RAMP1CYP3A4
SCHEMBL5383149 0.80 CALCRL (0.57) 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 4/4885SMN1; SMN2 3515/4885ALDH1A1 425/4885

“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.