SCHEMBL7006505

SCHEMBL7006505

c1ccc(OCCCN2CCOCC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.73
HTR2A P28223 2/20 0.73
SIGMAR1 Q99720 2/20 0.73
ALDH1A1 P00352 1/20 0.73
CYP1A2 P05177 1/20 0.73
CHRM2 P08172 1/20 0.73
CHRM1 P11229 1/20 0.73
SCN1A P35498 1/20 0.73
HTR2B P41595 1/20 0.73
KCNH2 Q12809 1/20 0.73
SCN2A Q99250 1/20 0.73
SCN3A Q9NY46 1/20 0.73
HRH3 Q9Y5N1 1/20 0.73
USP2 O75604 1/20 0.71
LMNA P02545 1/20 0.71
HTR1A P08908 1/20 0.69
DRD2 P14416 1/20 0.69
HRH1 P35367 1/20 0.69
DRD3 P35462 1/20 0.69
TMEM97 Q5BJF2 1/20 0.69

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
SCHEMBL12128299 0.93 ALDH1A1 (0.70) ALDH1A1HTTTSHRKDM4E
SCHEMBL6452945 0.91 NPC1 (0.79) MAPK1HTR2ASIGMAR1ALDH1A1CYP1A2
SCHEMBL27544865 0.91 HRH3 (0.65) MAPK1HTR2ASIGMAR1ALDH1A1CYP1A2
SCHEMBL11899308 0.91 RAB9A (0.83) MAPK1HTR2ASIGMAR1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7013705 0.90 NPC1 (0.82) MAPK1USP2LMNANPC1RAB9A
SCHEMBL14204567 0.90 NPC1 (0.77) ALDH1A1NPC1RAB9ALTA4HTSHR
SCHEMBL7008655 0.89 TSHR (0.76) MAPK1HTR2ASIGMAR1ALDH1A1CYP1A2
SCHEMBL7033807 0.87 HTR1A (0.80) HTR2ASIGMAR1ALDH1A1HRH3HTR1A
Pramoxine SCHEMBL26020 0.85 ALDH1A1 (1.00) MAPK1HTR2ASIGMAR1ALDH1A1CYP1A2
SCHEMBL13891668 0.84 PSMB1 (0.63) MAPK1HTR2ASIGMAR1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583818-B2 Compound, preparation method thereof, and use thereof DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2026-03-24 US disclosed
EP-4065553-B1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF DAEGU GYEONGBUK MEDICAL INNOVATION FOUND (KR) 2025-01-29 EP disclosed
CN-114981241-B Novel compounds, process for their preparation and their use 大邱庆北尖端医疗产业振兴财团 2024-11-19 CN disclosed
CN-112424194-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-02-06 CN disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed
EP-4065553-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2022-10-05 EP disclosed
CN-114981241-A Novel compound, preparation method and application thereof 大邱庆北尖端医疗产业振兴财团 2022-08-30 CN disclosed
CN-112424194-A Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2021-02-26 CN disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
CN-100396675-C Prodrugs of proton pump inhibitors PARTNERSHIP OF MICHAEL E GAST (US) 2008-06-25 CN disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
US-6559167-B1 Prodrugs of the pyridyl methyl sulfinyl benzimidazole type proton pump inhibitor drugs have a hydrolyzable arylsulfonyl or heteroarylsulfonyl group attached to the benzimidazole nitrogen. The prodrugs of the invention hydrolyze under REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-06 US disclosed
EP-1105387-B1 PRODRUGS OF PROTON PUMP INHIBITORS WINSTON PHARMATEUTICALS LLC (US) 2003-01-29 EP disclosed
CN-1312806-A Prodrugs of proton pump inhibitors PARTNERSHIP OF MICHAEL E GAST (US) 2001-09-12 CN disclosed
EP-1105387-A1 PRODRUGS OF PROTON PUMP INHIBITORS Partnership of Michael E. Garst, George Sachs and Jai Moo Shin (US) 2001-06-13 EP disclosed
WO-2000009498-A1 PRODRUGS OF PROTON PUMP INHIBITORS PARTNERSHIP OF MICHAEL E. GARST, GEORGE SACHS AND JAI MOO SHIN (US) 2000-02-24 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 (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-12583818-B2 Compound, preparation method thereof, and use thereof TYRO3, TH, SRMS MAPK1 828/4885HTR2A 532/4885SIGMAR1 234/4885
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB MAPK1 3452/4885HTR2A 3737/4885SIGMAR1 3032/4885
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF TYR, TYRO3, TH MAPK1 727/4885HTR2A 1526/4885SIGMAR1 2723/4885

“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.