SCHEMBL3128402

SCHEMBL3128402

CS(=O)(=O)OCCc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
LMNA P02545 3/20 0.44
AOC3 Q16853 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX5 P09917 1/20 0.41
IDO1 P14902 2/20 0.40
MAOB P27338 1/20 0.40
RECQL P46063 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CXCL8 P10145 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
DAO P14920 1/20 0.37

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
SCHEMBL3578553 0.90 LMNA (0.45) TAAR1LMNAAOC3ALDH1A1ALOX5
SCHEMBL1960375 0.87 KDM4E (0.46) LMNAALDH1A1KDM4EUSP2MMP9
SCHEMBL778643 0.81 IDO1 (0.52) TAAR1LMNAALDH1A1IDO1MAOB
SCHEMBL779564 0.81 TAAR1 (0.43) TAAR1LMNAAOC3ALDH1A1ALOX5
SCHEMBL13736903 0.81 IDO1 (0.44) LMNAALDH1A1IDO1MAOBRECQL
SCHEMBL3589537 0.80 TAAR1 (0.47) TAAR1LMNAALDH1A1ALOX5KMT2A
SCHEMBL3130844 0.80 KDM4E (0.40) TAAR1LMNAALDH1A1RECQLKMT2A
SCHEMBL27176755 0.79 KDM4E (0.43) LMNAALDH1A1KDM4EUSP2MMP9
SCHEMBL3605685 0.79 HTR2A (0.46) IDO1MAOBDAO
SCHEMBL29263722 0.79 PSEN1 (0.43) LMNAALDH1A1KMT2AKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024204554-A1 SPIROCYCLIC MORPHINAN DERIVATIVE 日本ケミファ株式会社 2024-10-03 WO disclosed
US-20200339597-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2020-10-29 US disclosed
US-10703765-B2 Alkyl and aryl derivatives of 1-oxa-4,9-diazaspiro undecane compounds having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-07-07 US disclosed
US-20170101420-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2017-04-13 US disclosed
EP-3149007-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2017-04-05 EP disclosed
WO-2015185207-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-12-10 WO disclosed
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
CN-101622241-B Benzimidazole compound and medical application thereof MITSUBISHI TANABE PHARMA CORP 2013-05-22 CN disclosed
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 EP disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
EP-0714894-A1 3-(1,2,3,6-tetrahydro-(1-alkylenearyl)-4-pyridinyl)- and 3-(1-alkylenearyl)-4-piperidinyl-1h-indoles: new 5-HT1f agonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed
US-5521197-A ANALGESICS USING SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1996-05-28 US disclosed
US-5468743-A Imidazo[2,1-b]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1995-11-21 US disclosed
EP-0588858-A1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022551-A1 IMIDAZO[2,1-b][3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed
EP-0518435-A1 Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed
EP-0144729-B1 11-Substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines, a process for their preparation and their use in medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-11-08 EP disclosed
US-4681879-A 11-substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines as antipsychotic and analgesic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-07-21 US disclosed
US-4608374-A 11-substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines as antipsychotic and analgesic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-08-26 US disclosed
EP-0144729-A1 11-Substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines, a process for their preparation and their use in medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-06-19 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 (4 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-10703765-B2 Alkyl and aryl derivatives of 1-oxa-4,9-diazaspiro undecane compounds having multimodal activity against pain OPRD1, SIGMAR1, OPRM1 TAAR1 216/4885LMNA 4123/4885AOC3 422/4885
US-20170101420-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 TAAR1 216/4885LMNA 4123/4885AOC3 422/4885
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 TAAR1 875/4885LMNA 4335/4885AOC3 1367/4885
US-20200339597-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRM1 TAAR1 216/4885LMNA 4123/4885AOC3 422/4885

“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.