SCHEMBL3946595

SCHEMBL3946595

CC(C)(C)OC(=O)NC1CCC(CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.54
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DRD2 P14416 3/20 0.50
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
MEN1 O00255 1/20 0.50
SYK P43405 1/20 0.49
EPHX1 P07099 1/20 0.48
ACACB O00763 4/20 0.48
ACACA Q13085 3/20 0.48
ATM Q13315 1/20 0.46

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
SCHEMBL7209388 1.00 ALDH1A1 (0.56) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL3946631 1.00 ALDH1A1 (0.56) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL3261678 0.95 ALDH1A1 (0.59) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL3261676 0.95 ALDH1A1 (0.59) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL6642475 0.93 KMT2A (0.52) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL6642481 0.93 KMT2A (0.52) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL13666981 0.92 SYK (0.57) KMT2ADRD2SYKACACBACACA
SCHEMBL13668666 0.92 SYK (0.57) KMT2ADRD2SYKACACBACACA
SCHEMBL30442637 0.90 ALDH1A1 (0.58) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL3940932 0.90 ALDH1A1 (0.55) ALDH1A1GAATSHRKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 EP disclosed
EP-0846682-B9 PENICILLAMINAMIDE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-05-14 EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO disclosed
EP-0846682-B1 PENICILLAMINAMIDE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2002-10-16 EP disclosed
EP-0669317-B1 Prolineamide derivatives MITSUBISHI CHEM CORP (JP) 2002-09-04 EP disclosed
US-6239150-B1 POTENT INHIBITORY ACTIVITY AGAINST THROMBIN, AND ARE USEFUL AS ANTICOAGULANTS. MITSUBISHI CHEMICAL CORPORATION (JP) 2001-05-29 US disclosed
EP-0846682-A1 PENICILLAMINAMIDE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1998-06-10 EP disclosed
EP-0669317-A1 Prolineamide derivatives Mitsubishi Chemical Corporation (JP) 1995-08-30 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 (4 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 ALDH1A1 2069/4885GAA 266/4885TSHR 271/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ALDH1A1 2036/4885GAA 484/4885TSHR 156/4885
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R ALDH1A1 1616/4885GAA 1060/4885TSHR 38/4885
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 ALDH1A1 765/4885GAA 298/4885TSHR 319/4885

“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.