SCHEMBL980309

SCHEMBL980309

C[C@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1C/C=C\c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.77
RAMP1 O60894 10/20 0.69
RAMP3 O60896 1/20 0.62
CALCR P30988 1/20 0.62
CALCA P06881 1/20 0.50

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
SCHEMBL978962 1.00 CALCRL (0.77) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL978961 1.00 CALCRL (0.77) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL980311 1.00 CALCRL (0.77) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL12921126 1.00 CALCRL (0.77) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL12921128 0.99 CALCRL (0.76) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL12948195 0.94 CALCRL (0.68) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL12921129 0.93 CALCRL (0.67) CALCRLRAMP1RAMP3CALCRCALCA
SCHEMBL6344530 0.92 CALCRL (0.78) CALCRLRAMP1RAMP3CALCR
SCHEMBL6345602 0.92 CALCRL (0.73) CALCRLRAMP1RAMP3CALCR
SCHEMBL979569 0.88 CALCRL (0.63) CALCRLRAMP1RAMP3CALCRCALCA

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 9 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
US-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
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
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
US-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP (US) 2011-01-27 US disclosed
US-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP (US) 2011-01-27 US disclosed
WO-2009120652-A2 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-10-01 WO 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.