SCHEMBL1274563

SCHEMBL1274563

COC(=O)C1(CC=O)CCN(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CYP2D6 P10635 1/20 0.32
CYP3A4 P08684 3/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 1/20 0.30
PKM P14618 1/20 0.30
ALDH1A1 P00352 1/20 0.30
USP2 O75604 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL27189621 0.91 CYP4F2 (0.33) CYP4F2CYP4A11CYP2D6CYP3A4CYP2C19
SCHEMBL1274527 0.86 CYP4F2 (0.33) CYP4F2CYP4A11CYP2D6CYP3A4CYP2C19
SCHEMBL17611774 0.84 MEN1 (0.42) MEN1KMT2AALDH1A1
SCHEMBL17033330 0.82 CYP4F2 (0.46) CYP4F2CYP4A11
SCHEMBL4777237 0.81 CYP4F2 (0.40) CYP4F2CYP4A11CYP2D6CYP3A4CYP2C19
SCHEMBL2604311 0.81 PKM (0.47) CYP4F2CYP4A11PKMUSP2
SCHEMBL17009549 0.80 CYP2D6 (0.36) CYP4F2CYP4A11CYP2D6CYP3A4CYP2C19
SCHEMBL17725098 0.79 CYP4F2 (0.47) CYP4F2CYP4A11
SCHEMBL4763096 0.79 CYP4F2 (0.41) CYP4F2CYP4A11CYP2D6MEN1KMT2A
SCHEMBL9934056 0.79 CYP4F2 (0.30) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024358-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-11-05 EP disclosed
EP-2029575-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US disclosed
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
US-7629338-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-7625901-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
EP-1957494-A2 LACTAM COMPOUNDS AND METHODS OF USING THE SAME Incyte Corporation (US) 2008-08-20 EP disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 US disclosed
WO-2007067504-A2 LACTAM COMPOUNDS AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-06-14 WO disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 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 (4 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-20070129345-A1 Lactam compounds and methods of using the same HSD11B1, HSD17B11, HSD17B1 CYP4F2 209/4885CYP4A11 31/4885CYP2D6 186/4885
US-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS QRFPR, CALCRL, EDNRB CYP4F2 1703/4885CYP4A11 1526/4885CYP2D6 1177/4885
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR CYP4F2 1560/4885CYP4A11 1548/4885CYP2D6 1158/4885
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB CYP4F2 1703/4885CYP4A11 1526/4885CYP2D6 1177/4885

“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.