SCHEMBL5374722

SCHEMBL5374722

O=C(/C=C/C(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 15/20 0.43
CHRM4 P08173 1/20 0.42
NAMPT P43490 1/20 0.41
HSD11B1 P28845 1/20 0.41
MGLL Q99685 1/20 0.41
RAMP1 O60894 6/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL5374729 1.00 CALCRL (0.43) CALCRLCHRM4NAMPTHSD11B1MGLL
SCHEMBL5378790 0.89 HSD11B1 (0.46) CALCRLCHRM4HSD11B1RAMP1
SCHEMBL5378799 0.89 HSD11B1 (0.46) CALCRLCHRM4HSD11B1RAMP1
SCHEMBL5378912 0.84 CALCRL (0.46) CALCRLCHRM4RAMP1
SCHEMBL5387407 0.84 CALCA (0.45) CALCRLCHRM4RAMP1
SCHEMBL5378904 0.84 CALCRL (0.46) CALCRLCHRM4RAMP1
SCHEMBL5387411 0.84 CALCA (0.45) CALCRLCHRM4RAMP1
SCHEMBL5387598 0.83 CHRM4 (0.47) CALCRLCHRM4RAMP1
SCHEMBL5387605 0.83 CHRM4 (0.47) CALCRLCHRM4RAMP1
SCHEMBL5374796 0.82 CTSS (0.49) CALCRLCHRM4HSD11B1RAMP1

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 CALCRL 4/4885CHRM4 461/4885NAMPT 4116/4885

“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.