SCHEMBL104468

SCHEMBL104468

CC(C)CCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.57
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP2A6 P11509 1/20 0.53
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
HRH1 P35367 2/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 1/20 0.47

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
Acetic Acid SCHEMBL28309069 0.90 TBXAS1 (0.54) CHRNA7TDP1L3MBTL1LMNA
SCHEMBL12197971 0.89 TDP1 (0.62) CHRNA7TDP1L3MBTL1CYP2A6HRH1
Bromide SCHEMBL18838899 0.87 TDP1 (0.61) CHRNA7TDP1L3MBTL1CYP2A6HRH1
SCHEMBL7760926 0.85 TDP1 (0.64) CHRNA7TDP1L3MBTL1CYP2A6HRH1
SCHEMBL9257762 0.85 CHRNA7 (0.53) CHRNA7TDP1L3MBTL1CYP2A6CHRNB2
SCHEMBL22229849 0.85 CHRNA7 (0.58) CHRNA7TDP1L3MBTL1CYP2A6CHRNB2
SCHEMBL7474912 0.85 CHRNA7 (0.53) CHRNA7TDP1L3MBTL1CYP2A6CHRNB2
SCHEMBL19865685 0.85 CHRNA7 (0.53) CHRNA7TDP1L3MBTL1CYP2A6CHRNB2
SCHEMBL7474917 0.85 CHRNA7 (0.58) CHRNA7TDP1L3MBTL1CYP2A6CHRNB2
SCHEMBL22857531 0.83 TDP1 (0.56) CHRNA7TDP1L3MBTL1CYP2A6CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145273-A2 N-MYRISTOYLTRANSFERASE INHIBITORS AND METHODS OF USE SEATTLE CHILDREN'S HOSPITAL (D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE) (US) 2024-07-04 WO disclosed
US-20240216414-A1 Antiviral Agents and Nucleoside Analogs for Treatment of Zika Virus UNIV EMORY (US) 2024-07-04 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-09-19 US disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
US-7442716-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2008-10-28 US disclosed
US-20080045468-A1 ANTIMICROBIAL 2-DEOXYSTREPTAMINE COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2008-02-21 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2007-09-06 US disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-7056935-B2 Rotamase enzyme activity inhibitors GPI NIL HOLDINGS, INC. (US) 2006-06-06 US disclosed
WO-2006014762-A1 SUBSTITUTED AMIDE BETA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-02-09 WO disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 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 (9 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-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CHRNA7 4167/4885TDP1 710/4885L3MBTL1 3832/4885
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors MCL1, BCLAF1, BCL2A1 CHRNA7 4733/4885TDP1 3223/4885L3MBTL1 977/4885
US-20080045468-A1 ANTIMICROBIAL 2-DEOXYSTREPTAMINE COMPOUNDS MTAP, UNG, PNMT CHRNA7 4559/4885TDP1 559/4885L3MBTL1 1076/4885
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 CHRNA7 2688/4885TDP1 1880/4885L3MBTL1 4806/4885
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors METTL3, DIMT1, TPMT CHRNA7 4623/4885TDP1 1158/4885L3MBTL1 164/4885
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CSNK1A1, CSNK1G1, CSNK1G3 CHRNA7 1475/4885TDP1 544/4885L3MBTL1 3746/4885
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER PLK1, PLK4, BUB1B CHRNA7 4495/4885TDP1 470/4885L3MBTL1 871/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR CHRNA7 467/4885TDP1 2695/4885L3MBTL1 2782/4885
US-20240216414-A1 Antiviral Agents and Nucleoside Analogs for Treatment of Zika Virus SAMHD1, PNP, NUDT1 CHRNA7 3391/4885TDP1 653/4885L3MBTL1 2062/4885

“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.