SCHEMBL230776

SCHEMBL230776

O=C(O)C1(c2ccccc2)OCO1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.45
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HDAC4 P56524 3/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8195263 0.92 AKR1C1 (0.42) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL20592967 0.87 AKR1C1 (0.45) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL4199640 0.84 AKR1C1 (0.40) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL3704068 0.83 AKR1C1 (0.38) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL7082757 0.83 AKR1C1 (0.42) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL6981777 0.82 AKR1C1 (0.41) AKR1C1OPRM1OPRL1LMNAHTT
SCHEMBL10353787 0.79 AKR1C1 (0.45) AKR1C1LMNAHTTHDAC4ALDH1A1
SCHEMBL6982681 0.75 THRB (0.44) AKR1C1HDAC4ALDH1A1MEN1KMT2A
SCHEMBL6982594 0.74 HSD11B1 (0.39) AKR1C1HSD11B1MEN1KMT2A
SCHEMBL6967893 0.74 CNR1 (0.40) AKR1C1ALDH1A1HSD11B1KMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140311218-A1 Methods of Producing Pseudoscent Compositions of Narcotic Materials and Compositions Thereof ADEBIMPE DAVID (US) 2014-10-23 US claimed
CN-106432542-B The preparation and application of O-3,4- methylenedioxyphenylacetic acid ester-N- trimethyl chitin quaternary ammonium salt 湖南工业大学 2019-05-24 CN disclosed
US-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 US disclosed
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US disclosed
EP-1978959-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-09 EP disclosed
EP-2340835-A1 Piperidine and piperazine derivatives M's Science Corporation (JP) 2011-07-06 EP disclosed
EP-1976525-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2010-11-03 EP disclosed
US-20100256162-A1 Piperazine and Piperidine Derivatives AGY THERAPEUTICS, INC. (US) 2010-10-07 US disclosed
EP-1730292-A2 USE OF INDANOYL AMIDE TO STIMULATE SECONDARY METABOLISM IN TAXUS SP. Phyton Biotech, Inc. (US) 2006-12-13 EP disclosed
US-7109377-B2 Synthesis of combinatorial libraries of compounds reminiscent of natural products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-19 US disclosed
US-20050221456-A1 Use of indanoyl amide to stimulate secondary metabolism in Taxus sp. PHYTON BIOTECH, INC. (US) 2005-10-06 US disclosed
WO-2005079355-A2 USE OF INDANOYL AMIDE TO STIMULATE SECONDARY METABOLISM IN TAXUS SP. PHYTON BIOTECH, INC. (US) 2005-09-01 WO disclosed
US-6448443-B1 GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 US disclosed
EP-1021418-A4 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF COCENSYS INC (US) 2001-06-13 EP disclosed
EP-1021418-A1 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF Cocensys, Inc. (US) 2000-07-26 EP disclosed
US-5679699-A ANTIISCHEMIC AGENTS, HEART RATE LOWERING AGENTS KALI-CHEMIE PHARMA GMBH (DE) 1997-10-21 US disclosed
WO-1997034878-A1 SUBSTITUTED 2,3-BENZODIAZEPIN-4-ONES AND THE USE THEREOF COCENSYS, INC. (US) 1997-09-25 WO disclosed
US-5547967-A HYPOTENSIVE AGENT, ANTIISCHEMIC AGENT KALI-CHEMIE PHARMA GMBH (DE) 1996-08-20 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 (3 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-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR2C AKR1C1 3344/4885OPRM1 53/4885OPRL1 24/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 AKR1C1 3261/4885OPRM1 2/4885OPRL1 5/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 AKR1C1 3265/4885OPRM1 2/4885OPRL1 4/4885

“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.