SCHEMBL3699990

SCHEMBL3699990

C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 9/20 0.56
RAMP1 O60894 4/20 0.52
RAMP3 O60896 1/20 0.49
CALCR P30988 1/20 0.49
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL12921051 0.88 CALCRL (0.53) CALCRLRAMP1RAMP3CALCRKMT2A
SCHEMBL6343402 0.86 CALCRL (0.50) CALCRLRAMP1RAMP3CALCRKMT2A
SCHEMBL979114 0.85 CALCRL (0.48) CALCRLRAMP1RAMP3CALCRKMT2A
SCHEMBL978956 0.82 CALCRL (0.48) CALCRLRAMP1RAMP3CALCRKMT2A
SCHEMBL979401 0.81 CALCRL (0.47) CALCRLRAMP1RAMP3CALCRKMT2A
SCHEMBL12921090 0.81 CALCRL (0.47) CALCRLRAMP1RAMP3CALCRKMT2A
SCHEMBL12921052 0.80 CALCRL (0.38) CALCRLRAMP1RAMP3CALCRKMT2A
SCHEMBL978963 0.79 CALCRL (0.44) CALCRLRAMP1RAMP3CALCRKMT2A
SCHEMBL15354517 0.79 CALCRL (0.42) CALCRLRAMP1RAMP3CALCRKMT2A
SCHEMBL12901354 0.78 HCAR3 (0.38) CALCRLRAMP1RAMP3CALCRKMT2A

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 5 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-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 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-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS CALCRL, CALCR, GRPR CALCRL 1/4885RAMP1 54/4885RAMP3 23/4885

“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.