SCHEMBL8045233

SCHEMBL8045233

CN(C)C(=O)n1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
AHR P35869 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NFKB1 P19838 1/20 0.36
QPCT Q16769 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TBXAS1 P24557 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
CYP24A1 Q07973 1/20 0.34

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
Iodomethane SCHEMBL22712578 0.96 AHR (0.37) HTTAHRALDH1A1HSD17B10NFKB1
SCHEMBL1171099 0.82 AHR (0.42) HTTAHRALDH1A1TBXAS1EGLN3
SCHEMBL165658 0.82 HTT (0.40) HTTAHRALDH1A1HSD17B10NFKB1
SCHEMBL17154289 0.80 AHR (0.39) HTTAHRALDH1A1TBXAS1MAPT
SCHEMBL9913328 0.80 CYP24A1 (0.37) HTTAHRALDH1A1TBXAS1MAPT
SCHEMBL10951816 0.79 AHR (0.49) AHRALDH1A1TBXAS1EGLN3LMNA
SCHEMBL28857423 0.77 AHR (0.37) HTTAHRALDH1A1HSD17B10CYP3A4
SCHEMBL14123361 0.77 AHR (0.48) HTTAHRALDH1A1TBXAS1EGLN3
SCHEMBL22606807 0.77 AHR (0.35) HTTAHRALDH1A1TBXAS1LMNA
SCHEMBL23967494 0.76 AHR (0.34) HTTAHRALDH1A1MAPTCYP24A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270695-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS J. MICHAEL BISHOP INSTITUTE OF CANCER RESEARCH (CN) 2024-08-15 US disclosed
EP-4277897-A1 FUSED AZEPINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER Chengdu Anticancer Bioscience, Ltd. (CN) 2023-11-22 EP disclosed
CN-116710442-A Compounds, compositions and methods for treating disorders 成都安泰康赛生物科技有限公司 2023-09-05 CN disclosed
WO-2022152097-A1 FUSED AZEPINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER Chengdu Anticancer Bioscience, Ltd. (CN) 2022-07-21 WO disclosed
US-20200375983-A1 A PROCESS FOR THE PREPARATION OF CARIPRAZINE HYDROCHLORIDE AUROBINDO PHARMA LTD (IN) 2020-12-03 US disclosed
US-9718795-B2 1,4-cyclohexylamine derivatives and processes for the preparation thereof CHEMO RESEARCH, S.L. (ES) 2017-08-01 US disclosed
US-9718795-B2 1,4-cyclohexylamine derivatives and processes for the preparation thereof CHEMO RESEARCH, S.L. (ES) 2017-08-01 US disclosed
EP-3057942-B1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CHEMO RES S L (ES) 2017-06-14 EP disclosed
US-9593125-B2 Heterocyclic flavone derivatives, compositions, and methods related thereto EMORY UNIVERSITY (US) 2017-03-14 US disclosed
US-20160257661-A1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CHEMO RESEARCH, S.L. (ES) 2016-09-08 US disclosed
WO-2008057857-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
CN-1086701-C Chloropyridylcarbonylazoles and fungicides for agriculture and horticulture BAYER AGROCHEM KK (JP) 2002-06-26 CN disclosed
EP-0866365-B1 Improved hardening of hydrophilic colloids AGFA GEVAERT NV (BE) 2000-06-21 EP disclosed
EP-0671655-B1 Improved hardening of hydrophylic colloids with imidazolium and triazine combinations AGFA GEVAERT NV (BE) 2000-06-21 EP disclosed
EP-0866365-A1 Improved hardening of hydrophilic colloids Sterling Diagnostic Imaging, Inc. (US) 1998-09-23 EP disclosed
US-5807668-A IMIDAZOLIUM COMPOUND AND POLYHYDROXY ACCELERATOR; PHOTOGRAPHY STERLING DIAGNOSTIC IMAGING, INC. (US) 1998-09-15 US disclosed
CN-1147505-A Chloropyridylcarbonylazoles and fungicides for agriculture and horticulture BAYER AGROCHEM KK (JP) 1997-04-16 CN disclosed
US-5601971-A HIGH STRENGTH, WATERPROOF; CONTAINING AN IMIDAZOLIUM AND A S-TRIAZINE COMPOUND STERLING DIAGNSOTIC IMAGING, INC. (US) 1997-02-11 US disclosed
EP-0671655-A2 Improved hardening of hydrophylic colloids with imidazolium and triazine combinations E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-09-13 EP disclosed
US-5378842-A Aminocarbonyl derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-03 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 (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-20240270695-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CYP27A1, PNLIP, GOT2 HTT 428/4885AHR 1123/4885ALDH1A1 461/4885
US-20160257661-A1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CYP4Z1, PNMT, HTR5A HTT 1036/4885AHR 429/4885ALDH1A1 518/4885
US-20200375983-A1 A PROCESS FOR THE PREPARATION OF CARIPRAZINE HYDROCHLORIDE ADRA2A, ADRA2C, HDAC2 HTT 316/4885AHR 288/4885ALDH1A1 642/4885

“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.