SCHEMBL233066

SCHEMBL233066

c1ccc2c(c1)CCCNC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 3/20 0.74
▸ CD44 P16070 2/20 0.74
▸ MAOB P27338 1/20 0.74
▸ TSHR P16473 1/20 0.55
▸ HTR2C P28335 4/20 0.54
▸ DRD2 P14416 1/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD5 P21918 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ HTR2B P41595 1/20 0.46
▸ RYR2 Q92736 1/20 0.45
▸ HTR6 P50406 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
Hydrochloric Acid SCHEMBL2876610 0.98 PNMT (0.71) PNMTCD44MAOBTSHRHTR2C
Ammonia Solution, Strong SCHEMBL20359732 0.98 PNMT (0.71) PNMTCD44MAOBTSHRHTR2C
SCHEMBL4503618 0.93 CD44 (0.71) PNMTCD44MAOBTSHRHTR2C
SCHEMBL4502101 0.91 CD44 (0.68) PNMTCD44MAOBTSHRHTR2C
SCHEMBL4505345 0.87 HTR2C (0.70) PNMTCD44MAOBTSHRHTR2C
SCHEMBL23555060 0.86 PNMT (0.83) PNMTCD44MAOBHTR2CDRD2
1,2,3,4-Tetrahydroisoquinoline SCHEMBL18419929 0.86 PNMT (0.83) PNMTCD44MAOBHTR2CDRD2
1,2,3,4-Tetrahydroisoquinoline SCHEMBL29360217 0.85 PNMT (1.00) PNMTCD44MAOBHTR2CDRD2
1,2,3,4-Tetrahydroisoquinoline SCHEMBL19085 0.85 PNMT (1.00) PNMTCD44MAOBHTR2CDRD2
1,2,3,4-Tetrahydroisoquinoline SCHEMBL28236302 0.85 PNMT (1.00) PNMTCD44MAOBHTR2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 — — US claimed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 — — US claimed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 — — WO claimed
JP-4778420-B2 — — 2011-09-21 — — JP claimed
US-7880001-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2011-02-01 — — US claimed
US-20100143322-A1 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT PATENT & LICENCE TRADING LTD., C/O THE B-NET (GB) 2010-06-10 — — US claimed
EP-2065368-A1 Inhibitors of IAP Novartis Ag (CH) 2009-06-03 — — EP claimed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 — — US claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 — — US claimed
EP-1615633-A4 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC (CA) 2008-07-09 — — EP claimed
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics GLAXO GROUP LIMITED (GB) 2006-07-20 — — US claimed
EP-1615633-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2006-01-18 — — EP claimed
US-20050234042-A1 Organic compounds PALERMO MARK G 2005-10-20 — — US claimed
WO-2005097791-A1 INHIBITORS OF IAP NOVARTIS AG (CH) 2005-10-20 — — WO claimed
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2005-03-17 — — US claimed
WO-2004093817-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-11-04 — — WO claimed
US-20040152697-A1 Pyrrolidin-2-one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2004-08-05 — — US claimed
EP-0566069-A1 Tachykinin receptor antagonists, isoquinolones and their production TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 — — EP claimed
WO-1992019572-A2 I-AZA-2-PHENYLHYDRORAZINO-HETEROCYCLES, PROCESS FOR PRODUCING THEM AND PHARMACEUTICALS CONTAINING THEM ARZNEIMITTELWERK DRESDEN GMBH (DE) 1992-11-12 — — WO claimed
US-5084453-A Antibiotics, bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-01-28 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20080242658-A1 Inhibitors of Iap XIAP, BIRC2, BIRC5 PNMT 4578/4885CD44 4296/4885MAOB 4018/4885
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 PNMT 2231/4885CD44 4688/4885MAOB 1021/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ PNMT 3898/4885CD44 4194/4885MAOB 1496/4885
US-20050234042-A1 Organic compounds AIFM1, BAX, API5 PNMT 3383/4885CD44 4196/4885MAOB 2901/4885
US-20040152697-A1 Pyrrolidin-2-one derivatives as inhibitors of factor xa TFPI, SERPINC1, TFPI2 PNMT 4404/4885CD44 4687/4885MAOB 269/4885
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics SULT1E1, SULT1A1, SULT2A1 PNMT 3616/4885CD44 4859/4885MAOB 932/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 PNMT 2231/4885CD44 4688/4885MAOB 1021/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 PNMT 3424/4885CD44 137/4885MAOB 4342/4885

“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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