SCHEMBL10153650

SCHEMBL10153650

O=C1NC(c2cc(F)cc(F)c2)CNC12CCCC2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 5/20 0.35
RAMP1 O60894 2/20 0.33
CALCA P06881 1/20 0.33
SLC6A9 P48067 8/20 0.32
OPRM1 P35372 3/20 0.31
KCNH2 Q12809 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
SCHEMBL12950635 1.00 CALCRL (0.35) CALCRLRAMP1CALCASLC6A9OPRM1
SCHEMBL13046363 0.83
SCHEMBL11895478 0.83
SCHEMBL11895934 0.81 GRM5 (0.30)
SCHEMBL11956603 0.75
SCHEMBL1069680 0.75 RIPK1 (0.33)
SCHEMBL978141 0.75 RIPK1 (0.33)
SCHEMBL11956602 0.73
SCHEMBL15354514 0.70 CALCRL (0.41) CALCRLRAMP1CALCA
SCHEMBL3731803 0.69 GRM5 (0.36) KCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 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 (2 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-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 CALCRL 2/4885RAMP1 65/4885CALCA 12/4885
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL CALCRL 3/4885RAMP1 71/4885CALCA 13/4885

“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.