SCHEMBL978138

SCHEMBL978138

CCC1(CC)CC[C@@H](c2cc(F)cc(F)c2)N(C(=O)O)C1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.34
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
FFAR2 O15552 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
NPY5R Q15761 2/20 0.30
METAP2 P50579 1/20 0.30
MDM2 Q00987 2/20 0.30
TP53 P04637 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
SCHEMBL1068636 1.00 RIPK1 (0.34) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL978376 0.84 RIPK1 (0.36) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL977719 0.83 DPP4 (0.37) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1272344 0.71 RIPK1 (0.38) RIPK1FFAR2NPY5R
SCHEMBL1274517 0.71 RIPK1 (0.36) RIPK1MDM2TP53
SCHEMBL4337706 0.71 RIPK1 (0.36) RIPK1MDM2TP53
SCHEMBL1274559 0.70 CALCRL (0.41) RIPK1FFAR2FFAR4MDM2TP53
SCHEMBL981354 0.70 RIPK1 (0.36) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1274728 0.68 CALCRL (0.41) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL4197385 0.66

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 15 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-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
EP-2271346-B1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
US-7893079-B2 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed
US-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP (US) 2011-01-27 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
EP-2029575-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-03-04 EP disclosed
EP-2024358-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-02-18 EP disclosed
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
WO-2008020902-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-02-21 WO disclosed
WO-2007133491-A1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-22 WO disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 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-20110021516-A1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS CCKAR, CALCRL, CCKBR RIPK1 3980/4885PSEN1 820/4885PSEN2 946/4885
US-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS QRFPR, CALCRL, EDNRB RIPK1 4255/4885PSEN1 719/4885PSEN2 806/4885
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR RIPK1 4365/4885PSEN1 730/4885PSEN2 744/4885
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB RIPK1 4255/4885PSEN1 719/4885PSEN2 806/4885

“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.