SCHEMBL6709101

SCHEMBL6709101

CC(C)(C)OC(=O)CN1CCC(N2CCN(C(=O)[C@@H](Cc3cc(Br)c(O)c(Br)c3)NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCA P06881 2/20 0.66
CALCRL Q16602 18/20 0.61
CYP3A4 P08684 13/20 0.61
RAMP1 O60894 2/20 0.56

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
SCHEMBL6709077 0.93 CALCRL (0.62) CALCACALCRLCYP3A4
SCHEMBL6706543 0.92 CALCA (0.67) CALCACALCRLCYP3A4RAMP1
SCHEMBL6705665 0.90 CALCA (0.67) CALCACALCRLCYP3A4RAMP1
SCHEMBL6707391 0.90 CALCA (0.70) CALCACALCRLCYP3A4RAMP1
SCHEMBL6706577 0.89 CALCA (0.70) CALCACALCRLCYP3A4RAMP1
SCHEMBL3960144 0.89 CALCA (0.76) CALCACALCRLCYP3A4RAMP1
SCHEMBL3957647 0.89 CALCA (0.76) CALCACALCRLCYP3A4RAMP1
SCHEMBL3954214 0.88 CALCA (0.75) CALCACALCRLCYP3A4RAMP1
SCHEMBL3966792 0.88 CALCA (0.74) CALCACALCRLCYP3A4RAMP1
SCHEMBL6706426 0.88 CALCRL (0.64) CALCRLCYP3A4

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.