SCHEMBL291589

SCHEMBL291589

[C]1CCc2ccccc2ON1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
OXTR P30559 1/20 0.34
HTR2C P28335 1/20 0.32
TSHR P16473 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 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
SCHEMBL60524 0.79 GAA (0.38) GAANPSR1MAOAMAOBOXTR
SCHEMBL124208 0.68 MAOA (0.39) GAANPSR1MAOAMAOBOXTR
SCHEMBL29687441 0.68 HTR2C (0.46) GAANPSR1MAOAMAOBOXTR
SCHEMBL187618 0.68 HTR2C (0.46) GAANPSR1MAOAMAOBOXTR
SCHEMBL7034209 0.68 HTR2C (0.46) GAANPSR1MAOAMAOBOXTR
SCHEMBL16013221 0.65 NPC1 (0.48) GAANPSR1MAOAMAOBOXTR
SCHEMBL31712966 0.65 HTR2C (0.43) GAANPSR1MAOAMAOBOXTR
SCHEMBL451710 0.65 TSHR (0.42) GAANPSR1MAOAMAOBOXTR
SCHEMBL141166 0.65 MAOA (0.37) MAOAMAOBOXTRTSHRABCG2
Cyclopropane SCHEMBL29171080 0.65 TSHR (0.42) GAANPSR1MAOAMAOBOXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201911-A Compounds and their use as GPR183 inhibitors 南京艾美斐生物医药科技有限公司 2024-06-14 CN claimed
EP-3782996-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-04-10 EP claimed
US-20230227452-A1 NONMUSCLE MYOSIN II INHIBITORS THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-07-20 US claimed
US-11643407-B2 Indanes as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-05-09 US claimed
WO-2023066190-A1 COMPOUNDS AND THEIR USES AS GPR183 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-04-27 WO claimed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US claimed
EP-3994136-A1 PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BeiGene, Ltd. (KY) 2022-05-11 EP claimed
US-20210317117-A1 NONMUSCLE MYOSIN II INHIBITORS FOR SUBSTANCE USE RELAPSE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-14 US claimed
US-20210198249-A1 INDANES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2021-07-01 US claimed
EP-3806854-A1 NONMUSCLE MYOSIN II INHIBITORS FOR SUBSTANCE USE RELAPSE The Scripps Research Institute (US) 2021-04-21 EP claimed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US claimed
EP-2284169-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-03-14 EP claimed
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP claimed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US claimed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP claimed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO claimed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 WO claimed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US claimed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP claimed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20210198249-A1 INDANES AS NRF2 ACTIVATORS NFE2L2, NQO1, KEAP1 GAA 2710/4885NPSR1 1538/4885MAOA 383/4885
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 GAA 3355/4885NPSR1 108/4885MAOA 746/4885
US-20230227452-A1 NONMUSCLE MYOSIN II INHIBITORS MYH2, MYO3B, MYO1B GAA 1004/4885NPSR1 3982/4885MAOA 926/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 GAA 3355/4885NPSR1 108/4885MAOA 746/4885
US-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 GAA 2150/4885NPSR1 1675/4885MAOA 1584/4885
US-20210317117-A1 NONMUSCLE MYOSIN II INHIBITORS FOR SUBSTANCE USE RELAPSE MYH2, MYO3B, MYO1B GAA 1237/4885NPSR1 3548/4885MAOA 980/4885
US-11643407-B2 Indanes as NRF2 activators NFE2L2, NQO1, KEAP1 GAA 2710/4885NPSR1 1538/4885MAOA 383/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH GAA 2372/4885NPSR1 95/4885MAOA 257/4885

“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.