SCHEMBL6706566

SCHEMBL6706566

Nc1c(Br)cc(C[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCN(CC(=O)O)CC3)CC2)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.59
RAMP1 O60894 1/20 0.56
CYP3A4 P08684 1/20 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
SCHEMBL6706570 1.00 CALCRL (0.59) CALCRLRAMP1CYP3A4
SCHEMBL6705413 0.94 CALCRL (0.61) CALCRLRAMP1CYP3A4
SCHEMBL6705416 0.94 CALCRL (0.61) CALCRLRAMP1CYP3A4
SCHEMBL6705404 0.93 CALCRL (0.63) CALCRLRAMP1CYP3A4
SCHEMBL6707378 0.93 CALCRL (0.59) CALCRLRAMP1CYP3A4
SCHEMBL6705397 0.93 CALCRL (0.63) CALCRLRAMP1CYP3A4
SCHEMBL6707377 0.93 CALCRL (0.59) CALCRLRAMP1CYP3A4
SCHEMBL6707389 0.92 CALCRL (0.58) CALCRLRAMP1CYP3A4
SCHEMBL6707392 0.92 CALCRL (0.58) CALCRLRAMP1CYP3A4
SCHEMBL6705424 0.92 CALCRL (0.65) 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 2 patents. 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
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 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-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.