SCHEMBL4473518

SCHEMBL4473518

CC(C)N1CCCC(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.33
CYP2D6 P10635 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL2603310 0.93 CYP2D6 (0.31) CYP2D6
SCHEMBL2603273 0.85 CYP2D6 (0.38) CYP2D6
SCHEMBL2603294 0.81 CYP2D6 (0.39) CYP2D6HRH3
SCHEMBL24125960 0.79 KDM4E (0.31) CYP2D6
SCHEMBL21249811 0.79 CYP2D6 (0.34) CYP2D6
SCHEMBL14524120 0.78 HRH3 (0.36) CYP2D6HRH3
SCHEMBL18592720 0.77
SCHEMBL22047432 0.77 CYP2D6 (0.33) CYP2D6
SCHEMBL12227562 0.77
SCHEMBL19919575 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. 2024-07-04 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
EP-3873903-B1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS AS HPK1 INHIBITORS GILEAD SCIENCES INC (US) 2024-01-24 EP disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
WO-2024011155-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2023-10-26 US disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
EP-2038059-A1 TREATMENT OF CHA-TYPE MOLECULAR SIEVES AND THEIR USE IN THE CONVERSION OF OXYGENATES TO OLEFINS Exxonmobil Chemical Patents Inc. A Corporation Of The State Of Delaware (US) 2009-03-25 EP disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
WO-2007145724-A1 TREATMENT OF CHA-TYPE MOLECULAR SIEVES AND THEIR USE IN THE CONVERSION OF OXYGENATES TO OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-12-21 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 (10 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV LIPE 4776/4885CYP2D6 2297/4885HRH3 2942/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 LIPE 3867/4885CYP2D6 692/4885HRH3 38/4885
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B LIPE 2122/4885CYP2D6 4324/4885HRH3 4413/4885
US-20230339902-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 IKZF1, IKZF3, IKZF2 LIPE 4078/4885CYP2D6 4302/4885HRH3 4242/4885
US-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 LIPE 22/4885CYP2D6 646/4885HRH3 3307/4885
US-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 LIPE 3395/4885CYP2D6 2733/4885HRH3 3051/4885
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN BRDT, BET1, BRD4 LIPE 3963/4885CYP2D6 4337/4885HRH3 454/4885
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 LIPE 731/4885CYP2D6 1714/4885HRH3 2937/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 LIPE 36/4885CYP2D6 437/4885HRH3 3378/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 LIPE 2556/4885CYP2D6 3211/4885HRH3 2551/4885

“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.