SCHEMBL981354

SCHEMBL981354

O=C(O)N1C(=O)CCC[C@H]1c1cc(F)cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 9/20 0.36
HTR7 P34969 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NPY5R Q15761 4/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
FFAR2 O15552 1/20 0.32

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
SCHEMBL979259 0.81 RIPK1 (0.40) RIPK1HTR7HCRTR1HCRTR2
SCHEMBL1272344 0.75 RIPK1 (0.38) RIPK1HTR7NPY5RFFAR2
SCHEMBL1274397 0.75 RIPK1 (0.35) RIPK1HTR7
SCHEMBL2578837 0.71 MEN1 (0.36) RIPK1NPY5R
SCHEMBL6961509 0.71 RIPK1 (0.37) RIPK1HTR7FFAR2
SCHEMBL5659497 0.71 RIPK1 (0.37) RIPK1HTR7FFAR2
SCHEMBL15614153 0.70 CACNA1B (0.42) RIPK1L3MBTL1
SCHEMBL1068636 0.70 RIPK1 (0.34) RIPK1NPY5RPSEN1PSEN2APH1B
SCHEMBL978138 0.70 RIPK1 (0.34) RIPK1NPY5RPSEN1PSEN2APH1B
SCHEMBL3341954 0.67 P2RX7 (0.43) RIPK1HTR7FFAR2

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 11 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
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 US 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 3980/4885HTR7 159/4885L3MBTL1 4300/4885
US-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS QRFPR, CALCRL, EDNRB RIPK1 4255/4885HTR7 386/4885L3MBTL1 4249/4885
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR RIPK1 4365/4885HTR7 395/4885L3MBTL1 4254/4885
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB RIPK1 4255/4885HTR7 386/4885L3MBTL1 4249/4885

“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.