SCHEMBL6828449

SCHEMBL6828449

CCOC(=O)C#Cc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.44
GFER P55789 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL853115 0.84 GRM5 (0.38) GRM5CYP3A4MAPTLMNACA12
SCHEMBL12004228 0.83 FFAR1 (0.48) GRM5CYP3A4CA12CA1CA2
SCHEMBL1751529 0.83 GFER (0.50) GRM5GFERCA12CA1CA2
SCHEMBL1661500 0.82 RXFP1 (0.44) GRM5CYP3A4MAPTLMNA
SCHEMBL853262 0.82 GRM5 (0.53) GRM5
SCHEMBL854291 0.82 GRM5 (0.54) GRM5CYP3A4MAPT
SCHEMBL2433672 0.81 APP (0.45) GRM5MAPTLMNA
SCHEMBL18180530 0.81 FFAR1 (0.48) GRM5CYP3A4CA12CA1CA2
SCHEMBL853918 0.81 FFAR1 (0.51) GRM5CA12CA1CA2CA9
SCHEMBL852513 0.80 GAA (0.50) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226108-A4 DIARYL-ENYNES NPS ALLELIX CORP (CA) 2004-06-16 EP disclosed
US-6579987-B2 Reducing an ester containing ene-yne conjugated, silane and aryl or heteroaryl functionality to an alcohol; bromination, amination, desilanation, coupling and deprotecting NPS ALLELIX CORPORATION (CA) 2003-06-17 US disclosed
US-20030092769-A1 DIARYL-ENYNES NPS ALLELIX CORPORATION (CA) 2003-05-15 US disclosed
US-6525085-B2 Treating neurological and neuropsychiatric disorders NPS ALLELIX CORP. (CA) 2003-02-25 US disclosed
US-20020169197-A1 Diaryl-enynes NPS ALLELIX CORP. 2002-11-14 US disclosed
EP-1226108-A1 DIARYL-ENYNES NPS Allelix Corp. (CA) 2002-07-31 EP disclosed
US-6426364-B1 NERVOUS SYSTEM OR PSYCHOLOGICAL DISORDERS NPS ALLELIX CORP. (CA) 2002-07-30 US disclosed
WO-2001032602-A1 DIARYL-ENYNES NPS ALLELIX CORP. (CA) 2001-05-10 WO disclosed
US-4105854-A PROSTAGLANDINS, VETERINARY MEDICINE, LUTEOLYSIS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-08 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 (2 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-20020169197-A1 Diaryl-enynes CBR3, CNR1, NR3C2 GRM5 1813/4885CYP3A4 1996/4885MAPT 4189/4885
US-20030092769-A1 DIARYL-ENYNES CBR3, CNR1, CBR1 GRM5 1818/4885CYP3A4 2069/4885MAPT 4186/4885

“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.