SCHEMBL17069026

SCHEMBL17069026

CC(=O)N1CCC[C@H]1c1cc(C)on1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ GRM5 P41594 2/20 0.43
▸ PIK3C3 Q8NEB9 2/20 0.43
▸ HCRTR1 O43613 2/20 0.42
▸ HCRTR2 O43614 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CPT1A P50416 2/20 0.40
▸ S1PR3 Q99500 1/20 0.40

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
SCHEMBL17069024 0.83 EPHX2 (0.53) EPHX2L3MBTL1KDM4EGAAALDH1A1
SCHEMBL19001361 0.77 CHRNB2 (0.58) EPHX2
SCHEMBL8118536 0.77 CHRNB2 (0.62) EPHX2HCRTR1HCRTR2
SCHEMBL18997799 0.74 EPHX2 (0.44) EPHX2L3MBTL1KDM4EPIK3C3GAA
SCHEMBL19049573 0.74 EPHX2 (0.46) EPHX2L3MBTL1KDM4EPIK3C3ALDH1A1
SCHEMBL17069018 0.72 DPP4 (0.41) HCRTR1HCRTR2CPT1A
SCHEMBL17069015 0.72 HCRTR1 (0.46) GRM5HCRTR1HCRTR2
SCHEMBL17069039 0.71 HCRTR1 (0.41) GRM5HCRTR1HCRTR2ALDH1A1CPT1A
SCHEMBL18131044 0.70 EPHX2 (0.58) EPHX2GRM5
SCHEMBL17069055 0.70 DPP4 (0.40) EPHX2KDM4EHCRTR1HCRTR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 — — US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 — — US 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-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR EPHX2 1235/4885L3MBTL1 4811/4885KDM4E 3048/4885

“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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