SCHEMBL1274397

SCHEMBL1274397

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.35
P2RX7 Q99572 1/20 0.32
HTR7 P34969 1/20 0.32
CYP19A1 P11511 1/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
HDAC5 Q9UQL6 2/20 0.31

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
SCHEMBL7841196 0.82 TSHR (0.36) P2RX7HTR7HDAC1HDAC8HDAC6
SCHEMBL1274378 0.80 RIPK1 (0.38) RIPK1HTR7HDAC1HDAC8HDAC6
SCHEMBL1274529 0.80 ALDH1A1 (0.42) RIPK1HDAC1HDAC8HDAC6HDAC5
SCHEMBL6961509 0.79 RIPK1 (0.37) RIPK1HTR7CYP19A1
SCHEMBL5659497 0.79 RIPK1 (0.37) RIPK1HTR7CYP19A1
SCHEMBL981354 0.75 RIPK1 (0.36) RIPK1HTR7
SCHEMBL4337706 0.73 RIPK1 (0.36) RIPK1HTR7
SCHEMBL1274517 0.73 RIPK1 (0.36) RIPK1HTR7
SCHEMBL1274380 0.69 RIPK1 (0.34) RIPK1HTR7
SCHEMBL1272344 0.68 RIPK1 (0.38) RIPK1HTR7

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-2024358-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-11-05 EP 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
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 (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-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS QRFPR, CALCRL, EDNRB RIPK1 4255/4885P2RX7 62/4885HTR7 386/4885
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR RIPK1 4365/4885P2RX7 60/4885HTR7 395/4885
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB RIPK1 4255/4885P2RX7 62/4885HTR7 386/4885

“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.