SCHEMBL454535

SCHEMBL454535

CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.49
GRIA1 P42261 2/20 0.44
CACNG8 Q8WXS5 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
LPL P06858 4/20 0.42
LIPG Q9Y5X9 4/20 0.42
EPHX2 P34913 1/20 0.42
PDK2 Q15119 1/20 0.42
PGR P06401 4/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GAA P10253 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
CMA1 P23946 1/20 0.38

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
SCHEMBL31243804 1.00 AHR (0.49) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL30351303 0.88 AHR (0.49) AHRLPLLIPGPDK2CMA1
SCHEMBL392563 0.88 AHR (0.49) AHRLPLLIPGPDK2CMA1
SCHEMBL422134 0.87 PDE3B (0.44) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL30320628 0.84 MAPT (0.46) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL28383719 0.84 MAPT (0.46) PDE3BPDE3ACYP1A2CYP11B1CYP11B2
SCHEMBL12049915 0.81 AHR (0.42) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL9953566 0.81 AHR (0.42) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL1857437 0.81 AHR (0.64) AHRLPLLIPGPDK2CMA1
SCHEMBL429226 0.79 PDE3B (0.51) PDE3BPDE3ACYP11B1CYP11B2LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112086564-A Passivating agent and passivation method thereof and method for preparing semiconductor film 杭州纤纳光电科技有限公司 2020-12-15 CN claimed
CN-111435705-A Repairing agent and repairing method thereof and method for preparing photoelectric film 杭州纤纳光电科技有限公司 2020-07-21 CN claimed
US-20260092074-A1 Annelated Pyridines as Steroidogenesis Inhibitors, Preparation Method and Use Thereof GUANGZHOU VINNOCENT PHARMACEUTICAL LTD (CN) 2026-04-02 US disclosed
EP-3768675-B1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2026-04-01 EP disclosed
US-20260083723-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS TORAY INDUSTRIES, INC. (JP) 2026-03-26 US disclosed
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 US disclosed
US-20260070880-A1 DYNAMIN ACTIVATORS WALDEN BIOSCIENCES, INC. (US) 2026-03-12 US disclosed
US-20260070902-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-03-12 US disclosed
US-12570639-B2 Tetrahydroquinoline derivative and medicinal use thereof TORAY INDUSTRIES, INC. (JP) 2026-03-10 US disclosed
EP-4630402-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-10-15 EP disclosed
US-20250304600-A1 PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS AS c-KIT KINASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2025-10-02 US disclosed
US-20060287356-A1 dietetics or antidiabetic agents such as 4-hydroxy-3-(4'-hydroxy-1,1'-biphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, used for prophylaxis of metabolic disorders IYENGAR RAJESH R 2006-12-21 US disclosed
US-7119205-B2 Thienopyridones as AMPK activators for the treatment of diabetes and obesity ABBOTT LABORATORIES (US) 2006-10-10 US disclosed
EP-1648905-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS Abbott Laboratories (US) 2006-04-26 EP disclosed
US-20050245531-A1 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, senile dementia, AIDS dementia, Pick's Disease, dementia associated with Down's syndrome; alpha 7 nAChR ligands modulators ABBOTT LABORATORIES 2005-11-03 US disclosed
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2005-06-23 US disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
US-20050038068-A1 Thienopyridones as AMPK activators for the treatment of diabetes and obesity ABBVIE INC. 2005-02-17 US disclosed
WO-2005010009-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-02-03 WO disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 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 (13 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-20250304600-A1 PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS AS c-KIT KINASE INHIBITORS KIT, PDGFRA, PDGFRB AHR 3031/4885GRIA1 1524/4885CACNG8 3264/4885
US-20260083723-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS AIFM2, GPX1, SOD1 AHR 2515/4885GRIA1 144/4885CACNG8 885/4885
US-20260070880-A1 DYNAMIN ACTIVATORS DNM1, DNM1L, DNM2 AHR 4553/4885GRIA1 484/4885CACNG8 229/4885
US-12570639-B2 Tetrahydroquinoline derivative and medicinal use thereof AIFM2, GPX1, GPX4 AHR 1501/4885GRIA1 206/4885CACNG8 1066/4885
US-20260070902-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS CCR6, CCR1, CCR4 AHR 271/4885GRIA1 698/4885CACNG8 2075/4885
US-20060287356-A1 dietetics or antidiabetic agents such as 4-hydroxy-3-(4'-hydroxy-1,1'-biphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, used for prophylaxis of metabolic disorders GPR119, FABP4, ADIPOR1 AHR 467/4885GRIA1 2280/4885CACNG8 2523/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK AHR 3249/4885GRIA1 1358/4885CACNG8 3861/4885
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 AHR 363/4885GRIA1 76/4885CACNG8 144/4885
US-20050038068-A1 Thienopyridones as AMPK activators for the treatment of diabetes and obesity PRKAG1, PRKAG3, PRKAG2 AHR 1138/4885GRIA1 2732/4885CACNG8 3161/4885
US-20260092074-A1 Annelated Pyridines as Steroidogenesis Inhibitors, Preparation Method and Use Thereof STS, NR5A1, CYP21A2 AHR 1479/4885GRIA1 1026/4885CACNG8 4665/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK AHR 3249/4885GRIA1 1358/4885CACNG8 3861/4885
US-20050245531-A1 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, senile dementia, AIDS dementia, Pick's Disease, dementia associated with Down's syndrome; alpha 7 nAChR ligands modulators CHRNA7, CHRNA6, CHRNA10 AHR 225/4885GRIA1 197/4885CACNG8 243/4885
US-20260078117-A1 COMPOUNDS AND METHODS OF USE NR3C2, ADRA1A, CNR1 AHR 958/4885GRIA1 683/4885CACNG8 2007/4885

“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.