SCHEMBL1764977

SCHEMBL1764977

Cc1nc(-c2cccc(Cl)c2Cl)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 1/20 0.44
NUDT1 P36639 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP19A1 P11511 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
RORC P51449 1/20 0.43
ECE1 P42892 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4437476 0.86 CYP19A1 (0.57) MAPTLMNAKMT2AL3MBTL1KDM4E
SCHEMBL19626491 0.84 RAB9A (0.42) TSHRRECQLMAPTL3MBTL1KDM4E
SCHEMBL474398 0.81 MPL (0.54) HTR2CMAPTLMNAKMT2AIDO1
SCHEMBL3766189 0.81 HTR2C (0.48) HTR2CMAPTLMNAKMT2AL3MBTL1
SCHEMBL19626559 0.80 RECQL (0.49) TSHRRECQLMAPTKDM4EALDH1A1
SCHEMBL1915470 0.79 NPC1 (0.54) HTR2CMAPTLMNAKMT2AL3MBTL1
SCHEMBL1764777 0.75 RECQL (0.47) TSHRRECQLMAPTNUDT1KDM4E
SCHEMBL6366682 0.75 RECQL (0.51) TSHRRECQLMAPTKMT2AL3MBTL1
SCHEMBL1765097 0.75 TSHR (0.44) TSHRRECQLMAPTLMNAKMT2A
SCHEMBL19626505 0.75 GRM5 (0.52) TSHRRECQLKDM4ECYP19A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-26 US disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 HTR2C 181/4885TSHR 819/4885RECQL 1313/4885
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 HTR2C 86/4885TSHR 515/4885RECQL 2808/4885

“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.