SCHEMBL4343050

SCHEMBL4343050

CC(C)(C)OC(=O)N1CCC[C@H]1COc1cccc2c1C(=O)NC2=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ F2RL3 Q96RI0 4/20 0.45
▸ EPHX2 P34913 1/20 0.43
▸ UCHL1 P09936 2/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ OPRD1 P41143 1/20 0.39

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
SCHEMBL4660808 1.00 ALOX5AP (0.46) ALOX5APFEN1F2RL3EPHX2UCHL1
SCHEMBL4340518 1.00 ALOX5AP (0.46) ALOX5APFEN1F2RL3EPHX2UCHL1
SCHEMBL2543518 0.80 ADRB2 (0.46) ALOX5APFEN1F2RL3EPHX2UCHL1
SCHEMBL25249469 0.80 CRBN (0.61) —
SCHEMBL2200755 0.79 CHRNB4 (0.58) ALOX5APFEN1F2RL3KDM1AOPRD1
SCHEMBL6293563 0.79 F2RL3 (0.44) ALOX5APFEN1F2RL3EPHX2UCHL1
SCHEMBL2539185 0.79 F2RL3 (0.50) ALOX5APFEN1F2RL3
SCHEMBL7997720 0.79 F2RL3 (0.50) ALOX5APFEN1F2RL3
SCHEMBL2200803 0.78 ALOX5AP (0.50) ALOX5APFEN1F2RL3OPRD1
SCHEMBL3113607 0.78 DPP4 (0.52) ALOX5APFEN1F2RL3KDM1AOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536160-B2 Azaheterocyclyl derivatives of androstanes and androstenes as medicaments for cardiovascular disorders SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2013-09-17 — — US disclosed
EP-2004669-B1 AZAHETEROCYCLYL DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA TAU IND FARMACEUTI (IT) 2013-01-23 — — EP disclosed
US-20090275542-A1 AZAHETEROCYCLYL DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-11-05 — — US disclosed
EP-2004669-A1 AZAHETEROCYCLYL DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-12-24 — — EP disclosed
WO-2007118830-A1 AZAHETEROCYCLYL DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-10-25 — — WO 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-20090275542-A1 AZAHETEROCYCLYL DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS ATP1A2, ATP6V1B1, ATP1A3 ALOX5AP 2215/4885FEN1 3553/4885F2RL3 4333/4885

“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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