Sugi Predict

Sugi Predict / Compounds / SCHEMBL799175

SCHEMBL799175

SCHEMBL799175

CN1CCC(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 8/20 0.55
▸ HTR2C P28335 5/20 0.55
▸ KCNH2 Q12809 4/20 0.55
▸ POLB P06746 1/20 0.46
▸ DRD2 P14416 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTR6 P50406 2/20 0.42
▸ MCOLN2 Q8IZK6 1/20 0.41
▸ MCOLN1 Q9GZU1 1/20 0.41
▸ SPR P35270 1/20 0.41
▸ CXCR2 P25025 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
SCHEMBL20284412 0.90 HTR2A (0.49) HTR2AHTR2CKCNH2POLBDRD2
SCHEMBL5704984 0.89 HTR2A (0.62) HTR2AHTR2CKCNH2POLBDRD2
SCHEMBL14986328 0.85 HTR2A (0.51) HTR2AHTR2CKCNH2POLBALDH1A1
SCHEMBL12049945 0.79 HTR2A (0.50) HTR2AHTR2CKCNH2DRD2ALDH1A1
SCHEMBL2609221 0.75 HTR2A (0.57) HTR2AHTR2CKCNH2DRD2
SCHEMBL3025333 0.75 HTR2A (0.61) HTR2AHTR2CKCNH2DRD2ALDH1A1
SCHEMBL3025337 0.75 HTR2A (0.61) HTR2AHTR2CKCNH2DRD2ALDH1A1
SCHEMBL2048495 0.75 HTR2A (0.59) HTR2AHTR2CKCNH2DRD2ALDH1A1
SCHEMBL5779923 0.75 HTR2A (0.69) HTR2AHTR2CKCNH2DRD2HTR6
SCHEMBL16963838 0.75 HTR2A (0.56) HTR2AHTR2CKCNH2DRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 — — US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 — — US disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 — — US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 — — US disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 — — US disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 — — US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 — — US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 — — US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 — — WO disclosed
EP-2336132-A1 MORPHOLINOPURINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-06-22 — — EP disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 — — US disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 — — US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 — — US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 — — US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 — — US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 — — US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 — — US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 — — US 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 (6 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-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR HTR2A 394/4885HTR2C 541/4885KCNH2 1258/4885
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 HTR2A 255/4885HTR2C 250/4885KCNH2 164/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 HTR2A 1538/4885HTR2C 2515/4885KCNH2 41/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 HTR2A 4345/4885HTR2C 4349/4885KCNH2 4553/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A HTR2A 742/4885HTR2C 787/4885KCNH2 3476/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A HTR2A 742/4885HTR2C 787/4885KCNH2 3476/4885

“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.

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