SCHEMBL397493

SCHEMBL397493

c1ncc2c(n1)CNCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
PNMT P11086 4/20 0.38
CD44 P16070 1/20 0.38
MAOB P27338 1/20 0.38
ASIC3 Q9UHC3 2/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR3A P46098 1/20 0.34
HTR6 P50406 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2B P41595 4/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL29428686 1.00 HTR2C (0.46) HTR2CCHRNB2CHRNA4PNMTCD44
Hydrochloric Acid SCHEMBL6767466 0.98 HTR2C (0.45) HTR2CCHRNB2CHRNA4PNMTCD44
SCHEMBL2452698 0.89 HTR2C (0.37) HTR2CCHRNB2CHRNA4PNMT
SCHEMBL2342848 0.86 CHRNB2 (0.48) HTR2CCHRNB2CHRNA4CHRM4CHRM5
SCHEMBL29772412 0.84 POLB (0.43) HTR2CCHRNB2CHRNA4PNMTCD44
SCHEMBL160968 0.84 POLB (0.43) HTR2CCHRNB2CHRNA4PNMTCD44
Hydrochloric Acid SCHEMBL6438259 0.84 CHRNB2 (0.47) HTR2CCHRNB2CHRNA4CHRM4CHRM5
Hydrochloric Acid SCHEMBL31126075 0.82 POLB (0.42) HTR2CCHRNB2CHRNA4PNMTCD44
Hydrochloric Acid SCHEMBL7009520 0.82 POLB (0.42) HTR2CCHRNB2CHRNA4PNMTCD44
SCHEMBL1195270 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175998-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS, LTD. (GB) 2024-08-29 WO claimed
WO-2024175999-A2 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2024-08-29 WO claimed
US-11434247-B1 Substituted furanopyrimidine compounds as PDE1 inhibitors DART NEUROSCIENCE LLC (US) 2022-09-06 US claimed
EP-3717488-B1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2021-09-29 EP claimed
EP-3717488-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS Dart NeuroScience, LLC (US) 2020-10-07 EP claimed
CN-111655695-A Substituted furopyrimidines as PDE1 inhibitors 达特神经科学有限公司 2020-09-11 CN claimed
CN-105712974-B Certain amino-pyrimidines, compositions thereof and methods of use thereof 赛特凯恩蒂克公司 2020-07-31 CN claimed
WO-2019104285-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE, LLC (US) 2019-05-31 WO claimed
US-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS PURDUE PHARMA L.P. 2010-06-03 US claimed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP claimed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO claimed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 US claimed
US-20260125387-A1 (R)-N-ETHYL-5-FLUORO-N-ISOPROPYL-2-((5-(2-(6-((2-METHOXYETHYL)(METHYL)AMINO)-2-METHYLHEXAN-3-YL)-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-1,2,4-TRIAZIN-6-YL)OXY)BENZAMIDE BESYLATE SALT JANSSEN PHARMACEUTICA NV (BE) 2026-05-07 US disclosed
US-20250381243-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC (US) 2025-12-18 US disclosed
US-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2025-12-04 US disclosed
US-12473295-B2 Substituted straight chain spiro derivatives JANSSEN PHARMACEUTICA NV (BE) 2025-11-18 US disclosed
WO-2004055011-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
WO-2004055010-A2 CYCLOPROPYL COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
WO-2004055016-A1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC 2003-04-10 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 (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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 HTR2C 2604/4885CHRNB2 397/4885CHRNA4 69/4885
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B HTR2C 103/4885CHRNB2 21/4885CHRNA4 30/4885
US-11434247-B1 Substituted furanopyrimidine compounds as PDE1 inhibitors PDE4A, PDE5A, PDE3A HTR2C 2093/4885CHRNB2 1240/4885CHRNA4 1346/4885
US-12473295-B2 Substituted straight chain spiro derivatives MLLT1, MEN1, MLLT3 HTR2C 4695/4885CHRNB2 4859/4885CHRNA4 4830/4885
US-20250381243-A1 HETEROCYCLES AND USES THEREOF TP53, KRAS, HRAS HTR2C 2410/4885CHRNB2 4460/4885CHRNA4 4851/4885
US-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS TRPV1, TRPA1, TRPV2 HTR2C 166/4885CHRNB2 985/4885CHRNA4 688/4885
US-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS HTR2C 4531/4885CHRNB2 4879/4885CHRNA4 4869/4885
US-20260125387-A1 (R)-N-ETHYL-5-FLUORO-N-ISOPROPYL-2-((5-(2-(6-((2-METHOXYETHYL)(METHYL)AMINO)-2-METHYLHEXAN-3-YL)-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-1,2,4-TRIAZIN-6-YL)OXY)BENZAMIDE BESYLATE SALT MLLT1, MEN1, MLLT3 HTR2C 2877/4885CHRNB2 3931/4885CHRNA4 4151/4885

“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.