SCHEMBL4453508

SCHEMBL4453508

[CH2]CC(=O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
EPHX1 P07099 4/20 0.40
HSD11B1 P28845 4/20 0.37
RECQL P46063 1/20 0.35
HSD11B2 P80365 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NAAA Q02083 1/20 0.34
MAPK1 P28482 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
SCHEMBL1375511 0.86
SCHEMBL2718937 0.86 KMT2A (0.41) CES2CES1
SCHEMBL4813468 0.80 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL327566 0.78 CES2 (0.44) CES2CES1HDAC8HDAC6TSHR
SCHEMBL29333109 0.78 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL28425729 0.78 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL599277 0.78 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL29333093 0.78 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4439030 0.77 CES2 (0.42) CES2CES1HDAC8HDAC6TSHR
SCHEMBL29056312 0.77 CES2 (0.42) CES2CES1HDAC8HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP claimed
EP-1140828-B1 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LTD (GB) 2006-08-09 EP claimed
WO-2006057868-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2006-06-01 WO claimed
CN-1192021-C 3-azabicyclo [3.1.0] hexane derivatives as opioid receptor ligands PFIZER LTD (US) 2005-03-09 CN claimed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 US claimed
US-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-06-13 US claimed
CN-1331679-A 3-azabicyclo [3.1.0] hexane derivatives as opiate receptors ligands PFIZER LTD (US) 2002-01-16 CN claimed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 US claimed
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP claimed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 WO claimed
US-20120298007-A1 PROCESS FOR PRODUCING CELLULOSE ESTER FILM, CELLULOSE ESTER FILM, POLARIZATION PLATE AND DISPLAY UNIT KONICA MINOLTA OPTO, INC. (JP) 2012-11-29 US disclosed
US-20090306361-A1 PROCESS FOR PRODUCING CELLULOSE ESTER FILM, CELLULOSE ESTER FILM, POLARIZATION PLATE AND DISPLAY UNIT KONICA MINOLTA OPTO, INC. (JP) 2009-12-10 US disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
EP-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP disclosed
US-20060233973-A1 Cellulose ester film, manufacturing method thereof, optical film, polarizing plate and liquid crystal display KONICA MINOLTA OPTO, INC. 2006-10-19 US disclosed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 WO disclosed
EP-0296878-B1 MODIFIED POLYSILOXANE-COATED SANITARY RUBBER ARTICLE AND PROCESS FOR ITS PRODUCTION DAIKYO GOMU SEIKO LTD. (JP) 1993-09-01 EP disclosed
US-5114794-A Coatings for medical equipment and drug containers for biological injections; adhesion; bonding strength DAIKYO GOMU SEIKO LTD. (JP) 1992-05-19 US disclosed
US-5110621-A Radiation with electrons, lasers, or ultraviolet rays to bond DAIKYO GOMU SEIKO LTD. (JP) 1992-05-05 US disclosed
EP-0296878-A2 Modified polysiloxane-coated sanitary rubber article and process for its production DAIKYO GOMU SEIKO LTD. (JP) 1988-12-28 EP 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 (2 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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 CES2 50/4885CES1 254/4885HDAC8 2239/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 CES2 50/4885CES1 254/4885HDAC8 2239/4885

“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.