SCHEMBL12901358

SCHEMBL12901358

COC(=O)CN1C(=O)C(C)(C)CCC1(C)c1cc(F)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 7/20 0.35
LMNA P02545 1/20 0.34
RAMP1 O60894 2/20 0.34
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
RAMP3 O60896 1/20 0.32
CALCR P30988 1/20 0.32
KAT2B Q92831 1/20 0.32
METAP2 P50579 3/20 0.32
CASP3 P42574 1/20 0.32
OPRL1 P41146 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 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
SCHEMBL12936529 1.00 CALCRL (0.35) CALCRLLMNARAMP1HCAR3HCAR2
SCHEMBL3592769 0.86 HCAR3 (0.38) CALCRLRAMP1HCAR3HCAR2RAMP3
SCHEMBL12901354 0.86 HCAR3 (0.38) CALCRLRAMP1HCAR3HCAR2RAMP3
Potassium Ion SCHEMBL5670572 0.84 CALCRL (0.34) CALCRLRAMP1HCAR3HCAR2RAMP3
SCHEMBL12921051 0.79 CALCRL (0.53) CALCRLLMNARAMP1RAMP3CALCR
SCHEMBL12921066 0.75 CALCRL (0.34) CALCRLRAMP1HCAR3HCAR2RAMP3
SCHEMBL12921052 0.72 CALCRL (0.38) CALCRLRAMP1HCAR3HCAR2RAMP3
SCHEMBL16181911 0.72 CALCRL (0.39) CALCRLOPRL1
SCHEMBL1273412 0.70 HCAR2 (0.38) CALCRLHCAR3HCAR2METAP2SMN1; SMN2
SCHEMBL13599284 0.69 CALCRL (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893079-B2 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed
US-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-03-04 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-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS QRFPR, CALCRL, EDNRB CALCRL 2/4885LMNA 735/4885RAMP1 70/4885

“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.