SCHEMBL233437

SCHEMBL233437

C[CH]C(CCC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.43
LMNA P02545 1/20 0.40
HRH1 P35367 6/20 0.38
HTR2A P28223 5/20 0.38
SIGMAR1 Q99720 1/20 0.37
TAAR1 Q96RJ0 2/20 0.35
RIPK1 Q13546 1/20 0.35
TRPA1 O75762 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL3432105 0.88 POLB (0.42) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL28609634 0.88 POLB (0.42) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL5853865 0.83 AOC3 (0.41) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL5853862 0.83 AOC3 (0.41) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL3144258 0.82 LMNA (0.48) AOC3LMNAHRH1HTR2ATAAR1
SCHEMBL28607657 0.82 LMNA (0.48) AOC3LMNAHRH1HTR2ATAAR1
SCHEMBL16774656 0.81 TRPA1 (0.48) LMNAHRH1HTR2ATAAR1RIPK1
SCHEMBL3022300 0.81 AOC3 (0.42) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL21625270 0.81 AOC3 (0.42) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL21308579 0.81 AOC3 (0.42) AOC3LMNAHRH1HTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350060-B2 2-amino-bicyclo[3.1.0] hexane-2, 6-dicarboxylic ester derivative Taisho Pharamceutical Co., Ltd. (JP) 2013-01-08 US disclosed
US-8258133-B2 2-amino-bicyclo[3.1.0]hexane-2, 6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 US disclosed
US-20120028982-A1 2-AMINO-BICYCLO[3.1.0]HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-02-02 US disclosed
US-20120004232-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-05 US disclosed
US-8076502-B2 2-amino-bicyclo(3.1.0) hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICALS CO., LTD. (JP) 2011-12-13 US disclosed
US-8039647-B2 2-amino-bicyclo (3.1.0) hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-7960579-B2 2-amino-bicyclo [3.1.0] hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
EP-2287147-A2 2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative Taisho Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
US-20100298561-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-11-25 US disclosed
US-7731941-B2 Staining composition for staining an ophthalmic membrane NATIONAL UNIVERSITY CORPORATION KYUSHU UNIVERSITY (JP) 2010-06-08 US disclosed
US-20050119345-A1 6-Fluorobicyclo[3.1.0]hexane derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-06-02 US disclosed
CN-1610557-A 6-fluorobicyclo [3.1.0] hexane derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2005-04-27 CN disclosed
EP-1459765-A1 6-FLUOROBICYCLO 3.1.0 HEXANE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2004-09-22 EP disclosed
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
EP-0414200-B1 Salts of optically active 4-hydroxy-8-(3-lower alkoxy-4-phenylsulfinylphenyl)pyrazolo [1,5-a]-1,3,5-triazines and a process for production thereof OTSUKA PHARMA CO LTD (JP) 1995-08-02 EP disclosed
CN-1028528-C Salts of optically active 4-hydroxy-8-(3-lower alkoxy-4-phenylsulfinylphenyl) pyrazolo [1,5-a]-1,3,5-triazines OTSUKA PHARMA CO LTD (JP) 1995-05-24 CN disclosed
US-5137887-A Xanthine oxidase inhibitors, antipodagric agents OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1992-08-11 US disclosed
CN-1049664-A Optically active 4-hydroxyl-8-(3-low-alkoxy-4-phenyl sulfinyl phenyl) pyrazolo [1,5-α]-1,3,5-triazines salt and method for making thereof OTSUKA PHARMA CO LTD (JP) 1991-03-06 CN disclosed
EP-0414200-A2 Salts of optically active 4-hydroxy-8-(3-lower alkoxy-4-phenylsulfinylphenyl)pyrazolo [1,5-a]-1,3,5-triazines and a process for production thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1991-02-27 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 (5 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-20050119345-A1 6-Fluorobicyclo[3.1.0]hexane derivatives GRM1, GRM2, GRM6 AOC3 1715/4885LMNA 4553/4885HRH1 84/4885
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 AOC3 157/4885LMNA 3254/4885HRH1 543/4885
US-20120028982-A1 2-AMINO-BICYCLO[3.1.0]HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C AOC3 1391/4885LMNA 4460/4885HRH1 147/4885
US-20100298561-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C AOC3 1393/4885LMNA 4565/4885HRH1 136/4885
US-20120004232-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C AOC3 1393/4885LMNA 4565/4885HRH1 136/4885

“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.