SCHEMBL3943582

SCHEMBL3943582

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CN)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.49
BTK Q06187 1/20 0.49
EPHX1 P07099 1/20 0.47
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
CTSK P43235 2/20 0.46
DRD3 P35462 2/20 0.45
GAA P10253 2/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL352831 1.00 DRD2 (0.49) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL352832 1.00 DRD2 (0.49) DRD2BTKEPHX1KDM1AMAOB
Hydrochloric Acid SCHEMBL3513679 0.98 DRD2 (0.48) DRD2BTKEPHX1KDM1AMAOB
Hydrochloric Acid SCHEMBL30722908 0.98 DRD2 (0.48) DRD2BTKEPHX1KDM1AMAOB
Hydrochloric Acid SCHEMBL3513680 0.98 DRD2 (0.48) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL3900940 0.90 BTK (0.54) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL5549963 0.90 BTK (0.54) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL3899249 0.90 BTK (0.54) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL5524221 0.90 BTK (0.54) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL23185506 0.89 DRD2 (0.50) DRD2BTKEPHX1KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 WO disclosed
WO-2021078301-A1 PROTEIN DEGRADING AGENT AND USE THEREOF IN TREATMENT OF DISEASES 上海科技大学 2021-04-29 WO disclosed
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 US disclosed
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
US-7589197-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-09-15 US disclosed
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-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 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-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-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP 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
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO 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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ DRD2 3135/4885BTK 1587/4885EPHX1 1503/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 DRD2 54/4885BTK 2230/4885EPHX1 1944/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 DRD2 41/4885BTK 1667/4885EPHX1 504/4885
US-20090143302-A1 PYRIMIDINE COMPOUNDS TYMS, TYMP, HPRT1 DRD2 3922/4885BTK 1509/4885EPHX1 368/4885
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 DRD2 130/4885BTK 1702/4885EPHX1 2264/4885

“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.