SCHEMBL6706479

SCHEMBL6706479

COC(=O)c1cccc(C2CCN(C(=O)[C@@H](Cc3cc(Br)c(O)c(Br)c3)NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCA P06881 2/20 0.68
CALCRL Q16602 18/20 0.57
RAMP1 O60894 2/20 0.57
CYP3A4 P08684 14/20 0.57

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
SCHEMBL6705364 0.94 CALCA (0.70) CALCACALCRLRAMP1CYP3A4
SCHEMBL6706489 0.93 CALCA (0.68) CALCACALCRLRAMP1CYP3A4
SCHEMBL4034936 0.88 CALCA (0.52) CALCACALCRLRAMP1CYP3A4
SCHEMBL3957126 0.88 CALCA (0.70) CALCACALCRLRAMP1CYP3A4
SCHEMBL6705485 0.88 CALCA (0.70) CALCACALCRLRAMP1CYP3A4
SCHEMBL3956598 0.87 CALCA (0.71) CALCACALCRLRAMP1CYP3A4
SCHEMBL3957042 0.87 CALCA (0.58) CALCACALCRLRAMP1CYP3A4
SCHEMBL6709346 0.85 CALCA (0.65) CALCACALCRLRAMP1CYP3A4
SCHEMBL6709279 0.85 CALCA (0.65) CALCACALCRLRAMP1CYP3A4
SCHEMBL3961003 0.85 CALCA (0.77) CALCACALCRLRAMP1CYP3A4

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 CALCA 423/4885CALCRL 406/4885RAMP1 766/4885

“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.