SCHEMBL251489

SCHEMBL251489

CC(C)OCc1c[c]ccc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL27427349 0.88 LTA4H (0.35) HPGDSLC6A4
SCHEMBL1166414 0.81 HPGD (0.33) HPGD
SCHEMBL28069960 0.81 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL27475759 0.78 CA1 (0.35) HTTTSHR
SCHEMBL160785 0.78
SCHEMBL6204590 0.77 LDHA (0.33)
SCHEMBL252046 0.75 IDO1 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL10616231 0.75 ALDH1A1 (0.33) TSHR
SCHEMBL15003 0.74 TSHR (0.52) HPGDHTTTSHRSLC6A2SLC6A4
SCHEMBL973837 0.74 TSHR (0.38) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-08 US disclosed
EP-3524599-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2019-08-14 EP disclosed
US-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2018-12-06 US disclosed
EP-3199533-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2017-08-02 EP disclosed
CN-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 CN disclosed
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 US disclosed
CN-103917535-B Pyrazole compounds and pharmaceutical use thereof JAPAN TOBACCO INC 2015-06-24 CN disclosed
EP-2784074-A1 PYRAZOLE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco, Inc. (JP) 2014-10-01 EP disclosed
US-8846746-B2 Pyrazole compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-09-30 US 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
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
US-20090306408-A1 2-Amino-Bicyclo (3.1.0) Hexane-2,6-Dicarboxylic Ester Derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-2123630-A1 2-Amino-bicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative Taisho Pharmaceutical Co. Ltd. (JP) 2009-11-25 EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
US-20070021394-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-01-25 US disclosed
EP-1637517-A1 2-AMINOBICYCLO 3.1.0 HEXANE-2,6-DICARBOXYLIC ESTER DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2006-03-22 EP disclosed
EP-0912512-B1 SULPHONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2003-04-02 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 (7 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-20180346449-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 HPGD 829/4885HTT 2225/4885TSHR 2282/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 HPGD 829/4885HTT 2225/4885TSHR 2282/4885
US-20090306408-A1 2-Amino-Bicyclo (3.1.0) Hexane-2,6-Dicarboxylic Ester Derivative GRIK4, GRIN2D, GRIN2C HPGD 1910/4885HTT 2120/4885TSHR 348/4885
US-20070021394-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative GRIN2C, GRIK4, GRIN2B HPGD 2201/4885HTT 1907/4885TSHR 343/4885
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 HPGD 829/4885HTT 2225/4885TSHR 2282/4885
US-20100298561-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C HPGD 1910/4885HTT 2120/4885TSHR 348/4885
US-20150183763-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC34A1 HPGD 1286/4885HTT 1410/4885TSHR 2374/4885

“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.