SCHEMBL6705497

SCHEMBL6705497

O=C(O)CN1CCN(C2CCN(C(=O)C(CC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)Cc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.58
RAMP1 O60894 1/20 0.57
CYP3A4 P08684 3/20 0.51

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
SCHEMBL6705494 1.00 CALCRL (0.58) CALCRLRAMP1CYP3A4
SCHEMBL3311030 0.94 CALCRL (0.63) CALCRLRAMP1CYP3A4
SCHEMBL6707357 0.92 CALCRL (0.59) CALCRLRAMP1CYP3A4
SCHEMBL6705422 0.92 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL6705424 0.92 CALCRL (0.65) CALCRLRAMP1CYP3A4
SCHEMBL6707353 0.92 CALCRL (0.59) CALCRLRAMP1CYP3A4
SCHEMBL3311187 0.92 CALCRL (0.63) CALCRLRAMP1CYP3A4
SCHEMBL3964316 0.91 CALCRL (0.67) CALCRLRAMP1CYP3A4
SCHEMBL3964314 0.91 CALCRL (0.67) CALCRLRAMP1CYP3A4
SCHEMBL6705373 0.91 CALCRL (0.62) CALCRLRAMP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-30 US claimed

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-20040192729-A1 Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof NPY1R, ADCY1, SRD5A1 CALCRL 406/4885RAMP1 766/4885CYP3A4 117/4885

“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.