SCHEMBL16626819

SCHEMBL16626819

COC(=O)c1ccc2c(c1)C[C@@]1(C2)C(=O)NC(=O)N1C

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.47
MAP2K2 P36507 1/20 0.44

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
SCHEMBL12698621 0.85 CALCRL (0.46) CALCRLMAP2K2
SCHEMBL15400764 0.85 CALCRL (0.46) CALCRLMAP2K2
SCHEMBL15401458 0.85 CALCRL (0.46) CALCRLMAP2K2
SCHEMBL12696572 0.80 CRBN (0.39) CALCRL
SCHEMBL10246263 0.76 CALCRL (0.59) CALCRLMAP2K2
SCHEMBL12921079 0.76 BRD4 (0.46) CALCRLMAP2K2
SCHEMBL16624586 0.76 CALCRL (0.53) CALCRLMAP2K2
SCHEMBL1921018 0.76 BRD4 (0.46) CALCRLMAP2K2
SCHEMBL1700551 0.76 CALCRL (0.53) CALCRLMAP2K2
SCHEMBL12152864 0.75 CALCRL (0.43) CALCRLMAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846801-B1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
US-9227973-B2 Pyridine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 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-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS CALCRL, P2RX3, P2RY1 CALCRL 1/4885MAP2K2 3196/4885

“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.