SCHEMBL4371629

SCHEMBL4371629

CCN(CC)Cc1ccc(CN)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.67
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ AOC3 Q16853 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PYCR1 P32322 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ PSIP1 O75475 1/20 0.43

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
SCHEMBL7768079 0.87 HRH3 (0.84) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL29808986 0.83 GRIN2D (0.47) HRH3AOC3KDM4ELOXL2
SCHEMBL23070463 0.83 GRIN2D (0.47) HRH3AOC3KDM4ELOXL2
SCHEMBL13078725 0.82 HRH3 (0.69) HRH3MAPT
SCHEMBL6224751 0.82 HRH3 (0.61) HRH3HDAC8HDAC6KDM4ELOXL2
SCHEMBL7315530 0.81 HRH3 (0.50) HRH3HDAC8HDAC6AOC3
SCHEMBL1638551 0.81 HRH3 (0.52) HRH3MAPT
SCHEMBL1813157 0.81 HRH3 (0.67) HRH3HDAC8HDAC6PYCR1LOXL2
SCHEMBL12680476 0.80 HRH3 (1.00) HRH3HDAC8HDAC6AOC3PYCR1
SCHEMBL5926009 0.80 HRH3 (0.73) HRH3HDAC8HDAC6PYCR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12310944-B2 Selective butyrylcholinesterase inhibitor or pharmaceutically acceptable salt thereof, preparation method and use thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2025-05-27 — — US disclosed
US-11795163-B2 Compound for inhibiting nicotinamide phosphoribosyltransferase and composition containing same CHECKMATE THERAPEUTICS INC. 2023-10-24 — — US disclosed
US-11795163-B2 Compound for inhibiting nicotinamide phosphoribosyltransferase and composition containing same CHECKMATE THERAPEUTICS INC. 2023-10-24 — — US disclosed
US-20230165833-A1 Selective Butyrylcholinesterase Inhibitor or Pharmaceutically Acceptable Salt Thereof, Preparation Method and Use Thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-06-01 — — US disclosed
US-11078195-B2 Compound for inhibiting nicotinamide phosphoribosyltransferase and composition containing same CHECKMATE THERAPEUTICS INC. 2021-08-03 — — US disclosed
US-20210171513-A1 NOVEL COMPOUND FOR INHIBITING NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE AND COMPOSITION CONTAINING SAME CHECKMATE THERAPEUTICS INC. (KR) 2021-06-10 — — US disclosed
WO-2021042410-A1 SELECTIVE BUTYRYLCHOLINESTERASE INHIBITOR OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 中国药科大学 2021-03-11 — — WO disclosed
CN-110627767-B Selective butyrylcholinesterase inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof 中国药科大学 2020-08-25 — — CN disclosed
US-20200247795-A1 NOVEL COMPOUND FOR INHIBITING NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE AND COMPOSITION CONTAINING SAME CHECKMATE THERAPEUTICS INC. (KR) 2020-08-06 — — US disclosed
CN-110627767-A Selective butyrylcholinesterase inhibitor or pharmaceutically acceptable salt thereof, preparation method and application thereof 中国药科大学 2019-12-31 — — CN disclosed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 — — US disclosed
CN-1438890-A Adenosine receptor modulators HOFFMANNLA ROCHE AG F (CH) 2003-08-27 — — CN disclosed
US-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 — — US disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 — — EP disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 — — US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 — — WO disclosed
US-6030984-A 7-(4-PHENOXYPHENYL)-6-OXOQUINOLIZINES AND DERIVATIVES OF TRICYCLIC RING ANALOGUES, PARTICULARLY 7-OXOTHIENO-(2,3-A)QUINOLIZINE; INHIBITING BETA-AMYLOID PEPTIDE ACTIVITY HOFFMANN-LA ROCHE INC. (US) 2000-02-29 — — US disclosed
US-5869500-A INHIBITING BETA-AMYLOID PEPTIDE ACTIVITY HOFFMANN-LA ROCHE INC. (US) 1999-02-09 — — US disclosed
WO-1998025930-A2 USE OF BI- AND TRICYCLIC PYRIDONE DERIVATIVES AGAINST ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 1998-06-18 — — WO disclosed
US-4507510-A Process for producing xylyleneglycol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-03-26 — — 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-11078195-B2 Compound for inhibiting nicotinamide phosphoribosyltransferase and composition containing same NAMPT, NAPRT, NNT HRH3 3649/4885HDAC8 265/4885HDAC6 123/4885
US-20200247795-A1 NOVEL COMPOUND FOR INHIBITING NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE AND COMPOSITION CONTAINING SAME NAMPT, NAPRT, NNMT HRH3 3817/4885HDAC8 296/4885HDAC6 144/4885
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 HRH3 131/4885HDAC8 1783/4885HDAC6 1816/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 HRH3 1412/4885HDAC8 4685/4885HDAC6 4178/4885
US-20230165833-A1 Selective Butyrylcholinesterase Inhibitor or Pharmaceutically Acceptable Salt Thereof, Preparation Method and Use Thereof BCHE, ACHE, BACE1 HRH3 1353/4885HDAC8 1852/4885HDAC6 302/4885
US-20210171513-A1 NOVEL COMPOUND FOR INHIBITING NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE AND COMPOSITION CONTAINING SAME NAMPT, NAPRT, NNMT HRH3 3817/4885HDAC8 296/4885HDAC6 144/4885
US-12310944-B2 Selective butyrylcholinesterase inhibitor or pharmaceutically acceptable salt thereof, preparation method and use thereof BCHE, ACHE, BACE1 HRH3 1253/4885HDAC8 1940/4885HDAC6 346/4885
US-11795163-B2 Compound for inhibiting nicotinamide phosphoribosyltransferase and composition containing same NAMPT, NAPRT, NNT HRH3 3649/4885HDAC8 265/4885HDAC6 123/4885

“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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