SCHEMBL451710

SCHEMBL451710

c1ccc2c(c1)CCCNO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HTR2C P28335 1/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
CYP2A6 P11509 1/20 0.36
OXTR P30559 1/20 0.35
PNMT P11086 1/20 0.34
CD44 P16070 1/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
PRCP P42785 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31

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
SCHEMBL30601152 1.00 TSHR (0.42) TSHRHTR2CMAOBMAOACYP2A6
Cyclopropane SCHEMBL29171080 1.00 TSHR (0.42) TSHRHTR2CMAOBMAOACYP2A6
SCHEMBL7034209 0.87 HTR2C (0.46) TSHRHTR2CMAOBMAOAOXTR
SCHEMBL187618 0.87 HTR2C (0.46) TSHRHTR2CMAOBMAOAOXTR
SCHEMBL29687441 0.87 HTR2C (0.46) TSHRHTR2CMAOBMAOAOXTR
SCHEMBL28604434 0.85 MAPT (0.36) TSHRGAANPSR1MAPT
Piperidine SCHEMBL5729886 0.82 HTR2C (0.48) TSHRHTR2CMAOBMAOAOXTR
Methylamine SCHEMBL2638183 0.82 HTR2C (0.41) TSHRHTR2CMAOBMAOAOXTR
SCHEMBL2379149 0.77 HTR2C (0.38) HTR2CMAOBMAOAOXTRPNMT
SCHEMBL4583944 0.74 MMP3 (0.41) HTR2CMAPTDRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN claimed
EP-3421454-B9 PIPERIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2023-08-09 EP claimed
EP-3421454-B1 PIPERIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2023-04-05 EP claimed
CN-108884044-B Piperidine derivatives 大塚制药株式会社 2023-01-31 CN claimed
CN-114096536-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-02-25 CN claimed
CN-113861128-A Polymerizable compound and optically anisotropic body 江苏创拓新材料有限公司 2021-12-31 CN claimed
CN-112584832-A Non-muscle myosin II inhibitors for substance use relapse 斯克里普斯研究学院 2021-03-30 CN claimed
CN-108112251-B NRF2 modulators 葛兰素史克知识产权发展有限公司 2021-03-05 CN claimed
US-10851079-B2 Piperidine derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-12-01 US claimed
US-20190040039-A1 PIPERIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-07 US claimed
EP-3421454-A1 PIPERIDINE DERIVATIVE Otsuka Pharmaceutical Co., Ltd. (JP) 2019-01-02 EP claimed
EP-2723747-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Inc. (US) 2014-04-30 EP claimed
US-20130017273-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 US claimed
WO-2012178124-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-27 WO claimed
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP claimed
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 US claimed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 US claimed
US-20100143322-A1 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT PATENT & LICENCE TRADING LTD., C/O THE B-NET (GB) 2010-06-10 US claimed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP claimed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 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 (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-20130017273-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 TSHR 3104/4885HTR2C 4597/4885MAOB 3227/4885
US-10851079-B2 Piperidine derivative EP300, SLC11A2, TBC1D5 TSHR 926/4885HTR2C 4664/4885MAOB 2500/4885
US-20190040039-A1 PIPERIDINE DERIVATIVE EP300, SLC11A2, TBC1D5 TSHR 926/4885HTR2C 4664/4885MAOB 2500/4885

“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.