SCHEMBL2098459

SCHEMBL2098459

c1ccc2c(c1)CSCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.47
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
HTT P42858 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 1/20 0.30
TSHR P16473 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
SCHEMBL4512687 0.78 ITGB2 (0.46) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL11926932 0.71 MAPT (0.37) GAASMN1; SMN2HTTKMT2ANPC1
SCHEMBL9116482 0.70 MAOA (0.37) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL10170816 0.69 OXTR (0.52) OXTRMAOAMAOBABCG2ITGB2
SCHEMBL30349594 0.69
SCHEMBL346944 0.69
SCHEMBL29965099 0.68
SCHEMBL7332054 0.68
SCHEMBL121521 0.68
Bromide SCHEMBL22498666 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2000035916-A1 HERBICIDAL 4-BENZOYLISOXAZOLES AVENTIS CROPSCIENCE S.A. (FR) 2000-06-22 WO claimed
US-6048984-A HERBICIDES AND ANTIGROWTH AGENTS RHONE-POULENC AGRICULTURE LIMITED (GB) 2000-04-11 US claimed
US-5977376-A Herbicidal 2-benzoylcyclohexane-1,3-diones and related compounds RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-11-02 US claimed
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP claimed
WO-1999003845-A1 2-BENZOYLCYCLOHEXANE-1,3-DIONE DERIVATIVES AS HERBICIDES AND INTERMEDIATES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO claimed
EP-0156224-B1 NOVEL BENZOXATHIIN DERIVATIVE, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITION SUNTORY LIMITED (JP) 1990-11-28 EP claimed
EP-0156224-A2 Novel benzoxathiin derivative, process for preparing them and pharmaceutical composition SUNTORY LIMITED (JP) 1985-10-02 EP claimed
US-20250051310-A1 BENZAZEPINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-02-13 US disclosed
CN-113795498-B Organic compound and organic electroluminescent element comprising same 材料科学有限公司 2024-12-17 CN disclosed
US-20240286999-A1 AZABICYCLO[3.1.0]HEXANE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-08-29 US disclosed
US-20240208999-A1 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-06-27 US disclosed
EP-0379979-A1 Pyrazolopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-08-01 EP disclosed
EP-0156224-A2 Novel benzoxathiin derivative, process for preparing them and pharmaceutical composition SUNTORY LIMITED (JP) 1985-10-02 EP disclosed
EP-0156224-A2 Novel benzoxathiin derivative, process for preparing them and pharmaceutical composition SUNTORY LIMITED (JP) 1985-10-02 EP disclosed
EP-0156224-A2 Novel benzoxathiin derivative, process for preparing them and pharmaceutical composition SUNTORY LIMITED (JP) 1985-10-02 EP 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 (5 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-20240286999-A1 AZABICYCLO[3.1.0]HEXANE COMPOUND MALT1, CXCR1, AZI2 OXTR 2194/4885MAOA 928/4885MAOB 324/4885
US-20250051310-A1 BENZAZEPINE DERIVATIVES AVPR2, AVPR1A, AVPR1B OXTR 23/4885MAOA 549/4885MAOB 557/4885
US-10851079-B2 Piperidine derivative EP300, SLC11A2, TBC1D5 OXTR 4123/4885MAOA 2662/4885MAOB 2500/4885
US-20240208999-A1 HETEROCYCLIC COMPOUND AHR, PDGFRA, PDGFRB OXTR 415/4885MAOA 910/4885MAOB 746/4885
US-20190040039-A1 PIPERIDINE DERIVATIVE EP300, SLC11A2, TBC1D5 OXTR 4123/4885MAOA 2662/4885MAOB 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.