SCHEMBL8038757

SCHEMBL8038757

Cc1ccc(-c2sc(C3CC3)nc2C)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
SLC6A3 Q01959 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
HSD11B1 P28845 1/20 0.38
KMO O15229 1/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CG P48736 2/20 0.37
PIK3CB P42338 1/20 0.37
DHODH Q02127 1/20 0.35
KCNH2 Q12809 2/20 0.34
EGFR P00533 1/20 0.33
RAF1 P04049 1/20 0.33
ERBB2 P04626 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL7948630 0.83 GPR52 (0.39) TLR9TLR8TLR7
SCHEMBL12864514 0.82 KCNH2 (0.40) TLR9TLR8TLR7KCNH2EGFR
SCHEMBL984955 0.82 HCRTR1 (0.49) HCRTR1HCRTR2SLC6A3HSD11B1KMO
SCHEMBL980832 0.79 SLC6A3 (0.55) HCRTR1HCRTR2SLC6A3KMODHODH
SCHEMBL27824199 0.79 HCRTR1 (0.41) HCRTR1HCRTR2SLC6A3HSD11B1KMO
SCHEMBL27824196 0.79 SLC6A3 (0.44) HCRTR1HCRTR2SLC6A3NISCHHSD11B1
SCHEMBL8026881 0.79 ALOX5 (0.46) HCRTR1HCRTR2TLR9TLR8TLR7
SCHEMBL7940349 0.79 JAK2 (0.50) NISCHKMOPIK3CDPIK3CAPIK3CG
SCHEMBL8038756 0.77 HCRTR1 (0.42) HCRTR1HCRTR2TLR9TLR8TLR7
SCHEMBL2632545 0.75 CHRNA7 (0.50) HCRTR1HCRTR2TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
WO-2020007964-A1 2-(2-AZABICYCLO[3.1.0]HEXAN-1-YL)-1H-BENZIMIDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-01-09 WO disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 US disclosed
US-10329287-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-25 US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 US disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 US disclosed
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 WO disclosed
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 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-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 (7 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-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885SLC6A3 1648/4885
US-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885SLC6A3 1759/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885SLC6A3 1759/4885
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES HCRTR2, HCRTR1, HCAR2 HCRTR1 2/4885HCRTR2 1/4885SLC6A3 2021/4885
US-20110039857-A1 PIPERIDINE AND PYROOLIDINE COMPOUNDS HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885SLC6A3 3195/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885SLC6A3 1759/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885SLC6A3 1759/4885

“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.