SCHEMBL5387407

SCHEMBL5387407

O=C(/C=C/C(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCA P06881 1/20 0.45
CALCRL Q16602 16/20 0.44
RAMP1 O60894 6/20 0.43
CHRM4 P08173 1/20 0.43
L3MBTL3 Q96JM7 2/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5387411 1.00 CALCA (0.45) CALCACALCRLRAMP1CHRM4L3MBTL3
SCHEMBL5372064 0.89 CALCRL (0.45) CALCACALCRLRAMP1CHRM4
SCHEMBL5372060 0.89 CALCRL (0.45) CALCACALCRLRAMP1CHRM4
SCHEMBL5378912 0.89 CALCRL (0.46) CALCACALCRLRAMP1CHRM4
SCHEMBL5378904 0.89 CALCRL (0.46) CALCACALCRLRAMP1CHRM4
SCHEMBL5387598 0.88 CHRM4 (0.47) CALCACALCRLRAMP1CHRM4
SCHEMBL5387605 0.88 CHRM4 (0.47) CALCACALCRLRAMP1CHRM4
SCHEMBL5378790 0.86 HSD11B1 (0.46) CALCACALCRLRAMP1CHRM4
SCHEMBL5378799 0.86 HSD11B1 (0.46) CALCACALCRLRAMP1CHRM4
SCHEMBL5371686 0.86 CALCA (0.46) CALCACALCRLRAMP1CHRM4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 CALCA 9/4885CALCRL 4/4885RAMP1 19/4885

“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.