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SCHEMBL1571930

SCHEMBL1571930

COc1cccc(-c2scnc2C(=O)N2[C@H](CNc3ncc(Br)cn3)C[C@@H]3C[C@@H]32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 8/20 0.39
▸ HCRTR1 O43613 6/20 0.39
▸ VHL P40337 3/20 0.38
▸ FYN P06241 1/20 0.35
▸ VCP P55072 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL1571742 0.88 HCRTR2 (0.39) HCRTR2HCRTR1VCPHDAC3HDAC1
SCHEMBL1571993 0.86 HCRTR1 (0.39) HCRTR2HCRTR1HDAC3HDAC1HDAC2
SCHEMBL1572422 0.83 HCRTR1 (0.40) HCRTR2HCRTR1VHLPTPN1NPC1
SCHEMBL1572204 0.83 HCRTR1 (0.45) HCRTR2HCRTR1
SCHEMBL1571640 0.78 HCRTR1 (0.47) HCRTR2HCRTR1DGAT2
SCHEMBL1571807 0.78 HCRTR1 (0.60) HCRTR2HCRTR1
SCHEMBL1572417 0.77 HCRTR1 (0.41) HCRTR2HCRTR1VHLNPC1ALDH1A1
SCHEMBL1572419 0.77 HCRTR1 (0.41) HCRTR2HCRTR1VHLNPC1ALDH1A1
SCHEMBL1571651 0.77 HCRTR2 (0.41) HCRTR2HCRTR1VHLNPC1ALDH1A1
SCHEMBL1571871 0.77 HCRTR1 (0.52) HCRTR2HCRTR1

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-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 — — US claimed
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-26 — — US claimed
EP-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 — — EP claimed
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
EP-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 — — 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 (1 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-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 HCRTR2 1/4885HCRTR1 2/4885VHL 1786/4885

“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.