SCHEMBL979401

SCHEMBL979401

C=CCN1C(=O)C2(CCCC2)NC[C@@]1(C)c1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 13/20 0.47
RAMP1 O60894 4/20 0.46
POLB P06746 1/20 0.44
RAMP3 O60896 1/20 0.44
CALCR P30988 1/20 0.44
AR P10275 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL12921090 0.99 CALCRL (0.47) CALCRLRAMP1POLBRAMP3CALCR
SCHEMBL12921091 0.89 CALCRL (0.45) CALCRLRAMP1POLBRAMP3CALCR
SCHEMBL979114 0.82 CALCRL (0.48) CALCRLRAMP1RAMP3CALCRAR
SCHEMBL978956 0.82 CALCRL (0.48) CALCRLRAMP1RAMP3CALCRAR
SCHEMBL3699990 0.81 CALCRL (0.56) CALCRLRAMP1RAMP3CALCRKMT2A
SCHEMBL15354517 0.79 CALCRL (0.42) CALCRLRAMP1POLBRAMP3CALCR
SCHEMBL12921051 0.79 CALCRL (0.53) CALCRLRAMP1RAMP3CALCRALDH1A1
SCHEMBL6343402 0.77 CALCRL (0.50) CALCRLRAMP1RAMP3CALCRLMNA
SCHEMBL12263091 0.77 CALCRL (0.41) CALCRLRAMP1POLBRAMP3CALCR
SCHEMBL977161 0.74 CALCRL (0.51) CALCRLRAMP1RAMP3CALCR

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 11 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
EP-2271346-A2 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-01-12 EP disclosed
WO-2009120652-A2 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-10-01 WO 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 169/4885POLB 3691/4885

“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.