SCHEMBL17069039

SCHEMBL17069039

CC(=O)N1CCC[C@H]1c1ncc(C)o1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.41
▸ HCRTR2 O43614 2/20 0.41
▸ TP53 P04637 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ BAZ2A Q9UIF9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ AADAT Q8N5Z0 1/20 0.36
▸ CPT1A P50416 2/20 0.36
▸ CPT2 P23786 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
SCHEMBL4216577 0.84 RIPK1 (0.39) HCRTR1HCRTR2GRM5ALDH1A1TSHR
SCHEMBL4216573 0.84 RIPK1 (0.39) HCRTR1HCRTR2GRM5ALDH1A1TSHR
SCHEMBL17069027 0.77 ALDH1A1 (0.45) HCRTR1HCRTR2MAPTALDH1A1TSHR
SCHEMBL17069036 0.74 HCRTR1 (0.41) HCRTR1HCRTR2TP53MAPTGRM5
SCHEMBL17069044 0.72 CYP3A4 (0.46) HCRTR1HCRTR2TP53MAPTBAZ2A
SCHEMBL17069015 0.72 HCRTR1 (0.46) HCRTR1HCRTR2GRM5
SCHEMBL18815570 0.72 RIPK1 (0.41) HCRTR1HCRTR2MAPTGRM5ALDH1A1
SCHEMBL17069048 0.71 BAZ2A (0.43) HCRTR1HCRTR2TP53MAPTCYP11B2
SCHEMBL17069026 0.71 EPHX2 (0.58) HCRTR1HCRTR2GRM5ALDH1A1CPT1A
SCHEMBL3369475 0.69 HCRTR1 (0.61) HCRTR1HCRTR2TSHR

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 HCRTR1 2/4885HCRTR2 1/4885TP53 4884/4885

“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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