SCHEMBL5376447

SCHEMBL5376447

O=C(NCC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 14/20 0.53
P2RY12 Q9H244 1/20 0.52
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
RAMP1 O60894 3/20 0.49
CHRM4 P08173 1/20 0.49
PREP P48147 1/20 0.47

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
SCHEMBL5367651 0.85 CALCRL (0.51) CALCRLRAMP1
SCHEMBL5371594 0.84 CALCRL (0.50) CALCRLRAMP1CHRM4
SCHEMBL5365820 0.83 CALCRL (0.57) CALCRLRAMP1CHRM4PREP
SCHEMBL5370418 0.80 CALCRL (0.52) CALCRLRAMP1CHRM4
SCHEMBL13907682 0.80 OXTR (0.46) CALCRLP2RY12RAMP1
SCHEMBL13907847 0.80 CALCRL (0.47) CALCRLRAMP1
SCHEMBL13907849 0.79 SMYD3 (0.48) CALCRLRAMP1
SCHEMBL14044283 0.78 CALCRL (0.62) CALCRLRAMP1CHRM4
SCHEMBL13907684 0.78 CALCRL (0.46) CALCRLRAMP1
SCHEMBL13907687 0.78 POLB (0.47) CALCRLPOLBRAMP1

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 4/4885P2RY12 415/4885KMT2A 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.