SCHEMBL7948111

SCHEMBL7948111

Cc1nc(C)c(-c2cccc(OC(F)(F)F)c2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ HASPIN Q8TF76 1/20 0.44
▸ GRM5 P41594 2/20 0.43
▸ XDH P47989 2/20 0.43
▸ FPR2 P25090 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SCN10A Q9Y5Y9 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ ATR Q13535 1/20 0.41
▸ PRMT1 Q99873 2/20 0.41
▸ GALR1 P47211 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39

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
SCHEMBL7940867 0.82 SMN1; SMN2 (0.49) DYRK1A
SCHEMBL985921 0.82 FPR2 (0.51) XDHFPR2FFAR1FFAR4
SCHEMBL17746038 0.80 FFAR1 (0.44) XDHFPR2ATRFFAR1FFAR4
SCHEMBL8192268 0.78 BRD4 (0.50) XDHCTSS
SCHEMBL5543913 0.75 TRPM8 (0.43) ADORA1ADORA2A
SCHEMBL7948113 0.75 RAB9A (0.47) —
SCHEMBL10203124 0.75 XDH (0.52) DYRK1ACLK2HASPINGRM5XDH
SCHEMBL16481833 0.74 L3MBTL1 (0.64) GRM5XDHS1PR1
SCHEMBL11912359 0.74 TP53 (0.50) DYRK1AGRM5KCNH2SCN10AS1PR1
SCHEMBL28805621 0.74 FPR2 (0.45) XDHFPR2KCNH2SCN10AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 — — US disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 — — US disclosed
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 — — US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 — — WO disclosed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 — — WO 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR DYRK1A 1872/4885CLK2 3225/4885HASPIN 1327/4885
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES HCRTR2, HCRTR1, HCAR2 DYRK1A 2744/4885CLK2 4263/4885HASPIN 2285/4885

“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.

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