SCHEMBL39137

SCHEMBL39137

CC(=O)c1cccc(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.61
GRM5 P41594 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
P4HB P07237 2/20 0.46
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
ENPP2 Q13822 1/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
GPR139 Q6DWJ6 1/20 0.45

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
SCHEMBL30239069 1.00 GSK3B (0.61) GSK3BGRM5ALDH1A1MAPTMEN1
SCHEMBL4060948 0.89 KAT6A (0.53) GSK3BDYRK1B
SCHEMBL6578442 0.87 GSK3B (0.85) GSK3BGRM5ALDH1A1MAPTMEN1
SCHEMBL22801100 0.85 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2APDK1
SCHEMBL8615592 0.83 ACACB (0.57) GRM5ALDH1A1MEN1KMT2A
SCHEMBL11808658 0.83 GSK3B (0.55) GSK3BGRM5ALDH1A1MAPTP4HB
SCHEMBL7452826 0.82 GSK3B (0.54) GSK3BGRM5P4HBCLK1DYRK1A
SCHEMBL7452810 0.82 GSK3B (0.54) GSK3BGRM5P4HBCLK1DYRK1A
SCHEMBL7452824 0.82 GSK3B (0.54) GSK3BGRM5P4HBCLK1DYRK1A
SCHEMBL2164429 0.82 GSK3B (0.62) GSK3BGRM5ALDH1A1MAPTMEN1

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 1128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-115925527-B Method for preparing alpha-diaryl methyl substituted ketone compound 湖南理工学院 2024-02-09 CN claimed
CN-115925527-A Method for preparing alpha-diaryl methyl substituted ketone compound 湖南理工学院 2023-04-07 CN claimed
EP-2529388-B1 FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY MICROMASS LTD (GB) 2019-10-23 EP claimed
CN-102267915-B Method for reducing aromatic nitriles UNIV ZHEJIANG 2013-11-20 CN claimed
CN-102276377-B Method for preparing benzylamine UNIV ZHEJIANG 2013-08-07 CN claimed
CN-102276377-A Method for preparing benzylamine 2011-12-14 CN claimed
CN-102267915-A Method for reducing aromatic nitriles 2011-12-07 CN claimed
US-7951827-B2 Synthesis and antiprotozoal activity of dicationic 3,5-diphenylisoxazoles THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-05-31 US claimed
US-7368463-B2 Substituted 4-amino-1-benzylpiperidine compounds THERAVANCE, INC. (US) 2008-05-06 US claimed
EP-1644356-A1 SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS Theravance, Inc. (US) 2006-04-12 EP claimed
EP-1556372-A2 SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2005-07-27 EP claimed
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2005-02-03 US claimed
WO-2005007645-A1 SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS THERAVANCE, INC. (US) 2005-01-27 WO claimed
US-20040122014-A1 Muscarinic M2 receptor antagonists; such as 4-{N-[7-(3-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine; reduced blurred vision, constipation and dry mouth side effects THERAVANCE BIOPHARMA R&D IP, LLC 2004-06-24 US claimed
WO-2004041806-A2 SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2004-05-21 WO claimed
US-6336963-B1 INK COMPOSITION COMPRISING INK VEHICLE COMPRISING FIRST NITRILE COMPOUND HAVING FIRST VISCOSITY AT MELT TEMPERATURE, VISCOSITY MODIFIER COMPRISING SECOND NITRILE COMPOUND HAVING LOWER VISCOSITY AT MELT TEMPERATURE, COLORANT XEROX CORPORATION 2002-01-08 US claimed
EP-0043480-B1 PROCESS FOR FORMING METALLIC IMAGES Hitachi, Ltd. (JP) 1985-04-03 EP claimed
US-4347304-A PHOTOSENSITIZATION WITH DISILANES OR ORGANIC COMPOUNDS HAVING COUPLED GERMANIUM OR TIN MOLECULES; PHOTORESISTS; POSITIVES; PLATING HITACHI, LTD. (JP) 1982-08-31 US claimed
EP-0043480-A2 Process for forming metallic images Hitachi, Ltd. (JP) 1982-01-13 EP claimed

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-20040122014-A1 Muscarinic M2 receptor antagonists; such as 4-{N-[7-(3-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine; reduced blurred vision, constipation and dry mouth side effects CHRM2, CHRM1, CHRM3 GSK3B 4644/4885GRM5 127/4885ALDH1A1 1429/4885
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma CHRM5, CHRM3, CHRM1 GSK3B 3007/4885GRM5 146/4885ALDH1A1 1154/4885

“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.