SCHEMBL16653387

SCHEMBL16653387

C[C@H]1NC(=O)[C@@H](NC(=O)O)C[C@H]1c1c(F)ccc(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.32
APOL1 O14791 1/20 0.32
FPR2 P25090 7/20 0.32
FPR1 P21462 6/20 0.31
RAMP1 O60894 3/20 0.31
CALCRL Q16602 3/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL16653213 1.00 HCRTR2 (0.32) HCRTR2APOL1FPR2FPR1RAMP1
SCHEMBL35210112 0.84 GAA (0.44) EPHX2
SCHEMBL20664223 0.84 GAA (0.44) EPHX2
SCHEMBL15280651 0.84 GAA (0.44) EPHX2
SCHEMBL35210100 0.84 GAA (0.44) EPHX2
SCHEMBL15280630 0.84 GAA (0.44) EPHX2
SCHEMBL16652961 0.78 HCAR2 (0.37) HCRTR2APOL1RAMP1CALCRL
SCHEMBL16652791 0.78 SMN1; SMN2 (0.44) EPHX2
SCHEMBL3709136 0.78 SMN1; SMN2 (0.44) EPHX2
SCHEMBL3711887 0.77 SLC6A3 (0.41) FPR2FPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2849568-B1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2020-04-15 EP disclosed
EP-3430906-A1 CRYSTALLINE FORMS OF CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2019-01-23 EP disclosed
US-10106541-B2 Intermediates for preparing CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-10-23 US disclosed
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-05-10 US disclosed
US-9487523-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-9174989-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-11-03 US disclosed
US-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-04-23 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 (3 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-10106541-B2 Intermediates for preparing CGRP receptor antagonists CALCR, CALCRL, VIPR1 HCRTR2 138/4885APOL1 4614/4885FPR2 713/4885
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS CALCR, CALCRL, VIPR1 HCRTR2 138/4885APOL1 4614/4885FPR2 713/4885
US-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS CCKBR, BDKRB2, CALCR HCRTR2 167/4885APOL1 4767/4885FPR2 360/4885

“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.