SCHEMBL2255992

SCHEMBL2255992

O=C(O)CN1C(=O)C2(CCN(CC(F)(F)F)CC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.58
OPRL1 P41146 18/20 0.55
OPRM1 P35372 3/20 0.50
OPRK1 P41145 2/20 0.50
C5AR1 P21730 1/20 0.45

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
SCHEMBL2257222 0.85 OPRL1 (0.59) OPRL1OPRM1OPRK1
SCHEMBL12362426 0.82 OPRL1 (0.49) EGLN1OPRL1OPRM1OPRK1C5AR1
SCHEMBL31729584 0.81 OPRL1 (0.47) EGLN1OPRL1OPRM1OPRK1C5AR1
SCHEMBL2256110 0.79 EGLN1 (0.53) EGLN1OPRL1OPRM1OPRK1
SCHEMBL13480097 0.79 OPRL1 (0.79) EGLN1OPRL1OPRM1OPRK1
SCHEMBL23994024 0.78 OPRL1 (0.47) EGLN1OPRL1OPRM1OPRK1C5AR1
SCHEMBL30181581 0.78 OPRL1 (0.47) EGLN1OPRL1OPRM1OPRK1C5AR1
SCHEMBL2254486 0.78 EGLN1 (0.52) EGLN1OPRL1OPRM1OPRK1
SCHEMBL2254620 0.78 EGLN1 (0.52) EGLN1OPRL1OPRM1OPRK1
SCHEMBL3736827 0.78 KMT2A (0.51) EGLN1OPRL1C5AR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146572-B1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-11-20 EP disclosed
US-8173655-B2 Bicyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-05-08 US disclosed
US-8173655-B2 Bicyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-05-08 US disclosed
US-8173655-B2 Bicyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-05-08 US disclosed
US-8003792-B2 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
US-8003792-B2 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
US-8003792-B2 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-04-15 US disclosed
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-04-15 US disclosed
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-04-15 US disclosed
EP-1797073-B1 BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-04-14 EP disclosed
WO-2008130512-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-30 WO disclosed
EP-1608627-B1 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-05-07 EP disclosed
US-20080096878-A1 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs MERCK SHARP & DOHME LLC 2008-04-24 US disclosed
US-20080096878-A1 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs MERCK SHARP & DOHME LLC 2008-04-24 US disclosed
US-20080096878-A1 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs MERCK SHARP & DOHME LLC 2008-04-24 US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-09-21 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-20080096878-A1 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs CALCB, BDKRB2, BDKRB1 EGLN1 926/4885OPRL1 25/4885OPRM1 147/4885
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists BDKRB2, CALCRL, CCKBR EGLN1 397/4885OPRL1 13/4885OPRM1 273/4885
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR EGLN1 919/4885OPRL1 16/4885OPRM1 60/4885

“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.