SCHEMBL3247336

SCHEMBL3247336

c1ccc2cc3c(cc2c1)CCNC3

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.61
CD44 P16070 1/20 0.61
MAOB P27338 1/20 0.61
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
ASIC3 Q9UHC3 1/20 0.52
HTR2C P28335 1/20 0.50
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48

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
SCHEMBL6307312 0.89 HTR2C (0.64) PNMTCD44MAOBASIC3HTR2C
SCHEMBL31438617 0.84 MEN1 (0.46) PNMTCD44MAOBHTR2C
SCHEMBL6221770 0.84 MEN1 (0.46) PNMTCD44MAOBHTR2C
SCHEMBL6312545 0.81 ALDH1A1 (0.47) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL6308288 0.81 DRD2 (0.56) PNMTCD44MAOBHTR2CDRD2
SCHEMBL6304990 0.80 PNMT (0.53) PNMTCD44MAOBADRA2AADRA2B
1,2,3,4-Tetrahydroisoquinoline SCHEMBL7327227 0.80 PNMT (0.86) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL6304994 0.77 CHRNB2 (0.50) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL29260695 0.77 PNMT (0.50) PNMTCD44MAOBADRA2AADRA2B
1,2,3,4-Tetrahydroisoquinoline SCHEMBL29360217 0.77 PNMT (1.00) PNMTCD44MAOBADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP claimed
US-6562836-B1 Islet amyloid polypeptide (IAPP) is known to be capable of forming fibrils which are deposited in the pancreas of patients wtih type II diabetes QUEEN'S UNIVERSITY OF KINGSTON (CA) 2003-05-13 US claimed
US-7786174-B2 Methods and compounds for inhibiting amyloid deposits BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-08-31 US disclosed
US-20080227767-A1 Administering a compound that inhibits islet amyloid polypeptide-associated amyloid deposition, e.g., 8-hydroxy-5-quinolinesulfonic acid, sodium cyclohexylsulfamate, or octahydroisoquinolinyl-N-propanesulfonic acid; antidiabetic agents NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-09-18 US disclosed
US-7393875-B2 Reducing islet amyloid polypeptide (IAPP) associated deposit; type II diabetes NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-07-01 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed
US-6930185-B2 Melanin-concentrating hormone antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040077628-A1 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
EP-1285651-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2003-02-26 EP disclosed
US-6472396-B1 Barbituric acid derivatives, processes for their production and pharmaceutical agents containing these compounds ROCHE DIAGNOSTICS GMBH (DE) 2002-10-29 US disclosed
EP-0869947-B1 BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 2002-10-23 EP disclosed
US-6242455-B1 INHIBITING A MATRIX METALLOPROTEASE ASSOCIATED DISEASE ROCHE DIAGNOSTICS GMBH (DE) 2001-06-05 US disclosed
US-6110924-A MATRIX METALLOPROTEASE INHIBITORS ROCHE DIAGNOSTICS GMBH (DE) 2000-08-29 US disclosed
EP-0869947-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-10-14 EP disclosed
WO-1997023465-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-07-03 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 (2 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-20080227767-A1 Administering a compound that inhibits islet amyloid polypeptide-associated amyloid deposition, e.g., 8-hydroxy-5-quinolinesulfonic acid, sodium cyclohexylsulfamate, or octahydroisoquinolinyl-N-propanesulfonic acid; antidiabetic agents IAPP, APP, AMY2A PNMT 2173/4885CD44 2334/4885MAOB 2060/4885
US-20040077628-A1 Melanin-concentrating hormone antagonist MCHR1, MC1R, MCHR2 PNMT 463/4885CD44 4078/4885MAOB 206/4885

“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.