SCHEMBL6705485

SCHEMBL6705485

O=C(O)c1ccc(C2CCN(C(=O)[C@@H](Cc3cc(Br)c(O)c(Br)c3)NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCA P06881 2/20 0.70
CALCRL Q16602 18/20 0.61
CYP3A4 P08684 15/20 0.61
RAMP1 O60894 2/20 0.61

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
SCHEMBL6706489 0.94 CALCA (0.68) CALCACALCRLCYP3A4RAMP1
SCHEMBL6705364 0.92 CALCA (0.70) CALCACALCRLCYP3A4RAMP1
SCHEMBL6705384 0.92 CALCA (0.70) CALCACALCRLCYP3A4RAMP1
SCHEMBL3956598 0.92 CALCA (0.71) CALCACALCRLCYP3A4RAMP1
SCHEMBL6705675 0.92 CALCA (0.69) CALCACALCRLCYP3A4RAMP1
SCHEMBL3957126 0.91 CALCA (0.70) CALCACALCRLCYP3A4RAMP1
SCHEMBL6707382 0.90 CALCA (0.67) CALCACALCRLCYP3A4RAMP1
SCHEMBL3963818 0.89 CALCRL (0.59) CALCACALCRLCYP3A4RAMP1
SCHEMBL6707368 0.88 CALCA (0.68) CALCACALCRLCYP3A4RAMP1
SCHEMBL6706479 0.88 CALCA (0.68) CALCACALCRLCYP3A4RAMP1

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 406/4885CYP3A4 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.