SCHEMBL979170

SCHEMBL979170

C[C@@]1(c2cc(F)cc(F)c2)CN(C(=O)O)C2(CCCC2)C(=O)N1CC(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 12/20 0.38
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
RAMP1 O60894 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
SCHEMBL977107 0.88 CALCRL (0.36) CALCRLRAMP1
SCHEMBL977136 0.87 CALCRL (0.38) CALCRLHCAR3HCAR2
SCHEMBL977108 0.83 CALCRL (0.31) CALCRL
SCHEMBL12921066 0.81 CALCRL (0.34) CALCRLHCAR3HCAR2RAMP1
SCHEMBL981352 0.80 CALCRL (0.41) CALCRLHCAR3HCAR2RAMP1
SCHEMBL981287 0.77 CALCRL (0.38) CALCRLHCAR3HCAR2RAMP1
SCHEMBL3583936 0.76 CALCRL (0.37) CALCRLHCAR3HCAR2RAMP1
SCHEMBL978530 0.76 CALCRL (0.36) CALCRLRAMP1
SCHEMBL977111 0.75 CALCRL (0.37) CALCRLHCAR3HCAR2RAMP1
Lithium Ion SCHEMBL977109 0.72 CALCRL (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
EP-2271346-B1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
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 2/4885HCAR3 97/4885HCAR2 141/4885

“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.