SCHEMBL1010480

SCHEMBL1010480

N#Cc1cccc2c1CCNC2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.58
PNMT P11086 5/20 0.55
MAOB P27338 1/20 0.48
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
HTR2C P28335 4/20 0.45
HTR2A P28223 2/20 0.45
HTR2B P41595 2/20 0.45
PRCP P42785 1/20 0.41
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL29586892 1.00 CD44 (0.58) CD44PNMTMAOBDRD2DRD3
Hydrochloric Acid SCHEMBL3070177 0.98 CD44 (0.56) CD44PNMTMAOBDRD2DRD3
SCHEMBL24265582 0.89 PNMT (0.49) CD44PNMTMAOBDRD2DRD3
Hydrochloric Acid SCHEMBL21753241 0.88 PNMT (0.48) CD44PNMTMAOBDRD2DRD3
SCHEMBL2322705 0.87 HTR2C (0.59) CD44PNMTMAOBDRD2DRD3
SCHEMBL29589119 0.85 PNMT (0.69) CD44PNMTMAOBDRD2DRD3
SCHEMBL7636993 0.85 PNMT (0.69) CD44PNMTMAOBDRD2DRD3
SCHEMBL28163880 0.84 CD44 (0.56) CD44PNMTMAOBHTR2CPRCP
Hydrochloric Acid SCHEMBL17687140 0.84 PNMT (0.67) CD44PNMTMAOBDRD2DRD3
SCHEMBL3055180 0.82 PNMT (0.47) CD44PNMTMAOBDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001278-A Tetrahydro isoquinoline derivative UCB生物制药私人有限公司 2017-08-01 CN claimed
CN-101501036-B Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO KGAA 2013-04-17 CN claimed
EP-3765447-B1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2023-07-12 EP disclosed
US-20230150978-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER ENYO PHARMA (FR) 2023-05-18 US disclosed
EP-4126847-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER ENYO Pharma (FR) 2023-02-08 EP disclosed
CN-109863145-B Novel tetrahydroisoquinoline and tetrahydronaphthyridine compounds for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN disclosed
WO-2021198188-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER ENYO PHARMA (FR) 2021-10-07 WO disclosed
US-11124495-B2 Tetrahydroisoquinolines and terahydronaphthyridines for the treatment of hepatitis B virus infection HOFFMANN-LA ROCHE, INC. (US) 2021-09-21 US disclosed
US-11124495-B2 Tetrahydroisoquinolines and terahydronaphthyridines for the treatment of hepatitis B virus infection HOFFMANN-LA ROCHE, INC. (US) 2021-09-21 US disclosed
EP-3535256-B1 NOVEL TETRAHYDROISOQUINOLINES AND TERAHYDRONAPHTHYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-12-02 EP disclosed
EP-3535256-B1 NOVEL TETRAHYDROISOQUINOLINES AND TERAHYDRONAPHTHYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-12-02 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
WO-2009001128-A1 1,2-CYCL0HEXANE DICARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001128-A1 1,2-CYCL0HEXANE DICARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-6465485-B1 SUCH AS 7-CYANO-2-(2-(1-(4-(2-INDOLYL)CARBOXAMIDO)CYCLO-HEXYL)ETHYL)-1,2,3,4 -TETRAHYDROISOQUINOLINE; ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-15 US disclosed
EP-0983244-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-03-08 EP disclosed
WO-1998050364-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 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 (3 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-20230150978-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER NQO2, NQO1, NDUFV2 CD44 2225/4885PNMT 2451/4885MAOB 902/4885
US-11124495-B2 Tetrahydroisoquinolines and terahydronaphthyridines for the treatment of hepatitis B virus infection HCCS, HAVCR2, ZC3HAV1 CD44 4518/4885PNMT 847/4885MAOB 708/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 CD44 4881/4885PNMT 824/4885MAOB 1458/4885

“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.