SCHEMBL6445802

SCHEMBL6445802

Cc1cccc(C)c1NCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
KAT2B Q92831 1/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37

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
SCHEMBL6065182 0.87 KAT2B (0.51) MAPTHTTALDH1A1HSD17B10TAAR1
SCHEMBL5840221 0.85 MAPT (0.54) CA7CA9MAPTHTTALDH1A1
SCHEMBL5838710 0.81 MAPT (0.44) MAPTHTTALDH1A1TSHRKAT2B
SCHEMBL5840516 0.81 MAPT (0.44) CA7CA9MAPTHTTALDH1A1
SCHEMBL18183961 0.80 GABRA1 (0.42) CA12CA3CA4CA6CA5A
SCHEMBL5839061 0.79 CHRM2 (0.44) MAPTHTTALDH1A1KAT2BCYP1A2
SCHEMBL814598 0.79 MAPT (0.48) CA7CA9MAPTHTTALDH1A1
SCHEMBL8013925 0.79 MAPT (0.43) MAPTHTTALDH1A1CYP1A2IDO1
SCHEMBL13917945 0.77 RAPGEF4 (0.48) ALDH1A1
Hydrochloric Acid SCHEMBL8521042 0.77 MAPT (0.41) MAPTHTTALDH1A1KAT2BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874561-A Charged ion channel blockers and methods of use thereof 诺西恩医疗公司 2025-04-25 CN disclosed
CN-113950471-B Charged ion channel blockers and methods of use thereof 诺西恩医疗公司 2025-01-14 CN disclosed
CN-116783160-A Libraries of compounds 中外制药株式会社 2023-09-19 CN disclosed
CN-115043868-A Five-membered cyclic aminosilane external electron donor, preparation method and application thereof 中国科学院化学研究所 2022-09-13 CN disclosed
CN-110330459-B Carboxylate ionic liquid and preparation method and application thereof 中国科学院过程工程研究所 2022-07-08 CN disclosed
CN-113950471-A Charged ion channel blockers and methods of use thereof 诺西恩医疗公司 2022-01-18 CN disclosed
EP-3083048-B1 METAL-LIGAND COMPLEX, OLEFIN POLYMERIZATION CATALYST DERIVED THEREFROM, AND OLEFIN POLYMERIZATION METHOD UTILIZING THE CATALYST DOW GLOBAL TECHNOLOGIES LLC (US) 2021-04-07 EP disclosed
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP 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
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
US-4922021-A ANTIARRHYTHMIA AGENTS BASF AKTIENSELLSCHAFT (DE) 1990-05-01 US disclosed
US-4721717-A α-(aminoalkylaminomethyl)phenylmethanols, composition containing them, and use thereof to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-01-26 US disclosed
US-4608383-A Cardioactive pyrazole and imidazole aryloxypropanolamines BOEHRINGER MANNHEIM GMBH (DE) 1986-08-26 US disclosed
EP-0171689-A1 Aminoalcohols, process for their preparation and medicaments containing these compounds and intermediates Roche Diagnostics GmbH (DE) 1986-02-19 EP disclosed
EP-0042593-B1 ARYLOXY-PROPANOL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1985-04-03 EP disclosed
US-4479962-A CARDIOTONIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1984-10-30 US disclosed
US-4438128-A ADRENERGIC BLOCKERS BOEHRINGER MANNHEIM GMBH (DE) 1984-03-20 US disclosed
EP-0071950-A1 Heteroarylpropanol amines, process for preparing them and medicines containing these compounds Roche Diagnostics GmbH (DE) 1983-02-16 EP disclosed
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US disclosed
EP-0042593-A1 Aryloxy-propanol amines, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-12-30 EP 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 (1 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-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 CA12 2700/4885CA3 1128/4885CA4 1353/4885

“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.