Sugi Predict

Sugi Predict / Compounds / SCHEMBL7948630

SCHEMBL7948630

SCHEMBL7948630

Cc1nc(C2CC2)sc1-c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 1/20 0.39
▸ TRPM8 Q7Z2W7 4/20 0.38
▸ GAA P10253 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ UBE2M P61081 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ IDO1 P14902 1/20 0.36

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
SCHEMBL8038756 0.85 HCRTR1 (0.42) GAAALDH1A1TLR9TLR8TLR7
SCHEMBL12864517 0.83 KMT2A (0.43) GPR52GAAALDH1A1TLR9TLR8
SCHEMBL8038757 0.83 HCRTR1 (0.41) TLR9TLR8TLR7
SCHEMBL12864516 0.83 ALDH1A1 (0.44) GAAALDH1A1TLR9TLR8TLR7
SCHEMBL12864515 0.82 KDM1A (0.49) GPR52ALDH1A1MAPTMEN1KMT2A
SCHEMBL12864514 0.82 KCNH2 (0.40) TLR9TLR8TLR7
SCHEMBL2632545 0.82 CHRNA7 (0.50) GAAALDH1A1TLR9TLR8TLR7
SCHEMBL12864510 0.81 ALDH1A1 (0.49) GPR52GAAALDH1A1UBE2MDCUN1D1
SCHEMBL982439 0.79 PIN1 (0.49) TRPM8GAAALDH1A1GFERUBE2M
SCHEMBL327274 0.79 CDK4 (0.51) GPR52TRPM8GAAKDM4EMAPT

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 6 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-20110039857-A1 PIPERIDINE AND PYROOLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-17 — — 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 (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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR GPR52 76/4885TRPM8 237/4885GAA 2500/4885
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES HCRTR2, HCRTR1, HCAR2 GPR52 73/4885TRPM8 596/4885GAA 2989/4885
US-20110039857-A1 PIPERIDINE AND PYROOLIDINE COMPOUNDS HCRTR1, HCRTR2, NPY1R GPR52 104/4885TRPM8 551/4885GAA 2549/4885

“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.