SCHEMBL980296

SCHEMBL980296

CC(C)(C)OC(=O)N1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Oc2ccc3c(c2)C[C@@]2(C3)C(=O)N(COCC[Si](C)(C)C)c3ncccc32)C(=O)C12CCCC2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 17/20 0.44
RAMP1 O60894 5/20 0.40
RAMP3 O60896 1/20 0.36
CALCR P30988 1/20 0.36
CALCA P06881 1/20 0.31

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
SCHEMBL979141 0.92 CALCRL (0.46) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL979228 0.79 CALCRL (0.58) CALCRLRAMP1RAMP3CALCR
SCHEMBL979227 0.79 CALCRL (0.58) CALCRLRAMP1RAMP3CALCR
SCHEMBL12921113 0.74 CALCRL (0.76) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL13993500 0.73 CALCRL (0.79) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL13599204 0.73 CALCRL (0.79) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL13599219 0.73 CALCRL (0.79) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL977107 0.73 CALCRL (0.36) CALCRLRAMP1
SCHEMBL977138 0.71 CALCRL (0.49) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL978530 0.70 CALCRL (0.36) CALCRLRAMP1

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-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP (US) 2011-01-27 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-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS CCKAR, CALCRL, CCKBR CALCRL 2/4885RAMP1 169/4885RAMP3 105/4885

“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.