SCHEMBL17069055

SCHEMBL17069055

CC(=O)N1CCC[C@H]1c1cn(C)nn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TP53 P04637 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ BAZ2A Q9UIF9 1/20 0.37
▸ RIPK1 Q13546 1/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 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
SCHEMBL23642023 0.78 CHRNB2 (0.44) DDB1CRBNMAPT
SCHEMBL17069052 0.71 RORC (0.39) DPP4HCRTR1HCRTR2TP53MAPT
SCHEMBL17069026 0.70 EPHX2 (0.58) HCRTR1HCRTR2KDM4EGAAEPHX2
SCHEMBL17069041 0.68 BAZ2A (0.41) TP53MAPTBAZ2ACCNT1CDK9
SCHEMBL1197375 0.68 HSD11B1 (0.51) TP53MAPTRIPK1CYP11B2
SCHEMBL8275419 0.67 RIPK1 (0.69) EPHX2RIPK1
SCHEMBL17454944 0.67 RIPK1 (0.69) EPHX2RIPK1
SCHEMBL16464925 0.67 HCRTR1 (0.59) DPP4DDB1CRBNHCRTR1HCRTR2
SCHEMBL16891489 0.67 TP53 (0.43) TP53MAPTBAZ2ACYP11B2
SCHEMBL19083795 0.67 TP53 (0.36) TP53MAPTBAZ2ACYP11B2CCNT1

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 DPP4 3147/4885DDB1 4774/4885CRBN 1882/4885

“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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