SCHEMBL17803

SCHEMBL17803

O=S(=O)(c1ccccc1)C1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.51
KCNH2 Q12809 3/20 0.49
HTR2C P28335 2/20 0.49
HTR6 P50406 8/20 0.46
GBA1 P04062 1/20 0.46
SLC18A3 Q16572 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
GABRA1 P14867 1/20 0.43
TSHR P16473 1/20 0.43
GABRG2 P18507 1/20 0.43
NFKB1 P19838 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRA6 Q16445 1/20 0.43
MAPT P10636 1/20 0.43
DRD3 P35462 1/20 0.41

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
Hydrochloric Acid SCHEMBL1021139 0.98 HTR2A (0.50) HTR2AKCNH2HTR2CHTR6GBA1
SCHEMBL10797246 0.93 HTR2A (0.46) HTR2AKCNH2HTR2CHTR6GBA1
SCHEMBL336837 0.89 HTR2A (0.45) HTR2AKCNH2HTR2CHTR6GBA1
Hydrochloric Acid SCHEMBL3547060 0.87 HTR2A (0.44) HTR2AKCNH2HTR2CHTR6GBA1
SCHEMBL2048495 0.85 HTR2A (0.59) HTR2AKCNH2HTR2CHTR6GBA1
SCHEMBL777971 0.81 MAPT (0.56) HTR2AKCNH2HTR2CHTR6MAPT
SCHEMBL7541817 0.81 HTR2A (0.56) HTR2AKCNH2HTR2CHTR6MAPT
SCHEMBL3075967 0.81 LMNA (0.41) HTR2AKCNH2HTR2CHTR6GBA1
SCHEMBL18318428 0.81 NAMPT (0.42) HTR2AKCNH2HTR2CLMNACYP3A4
SCHEMBL5212828 0.81 CYP11B1 (0.49) HTR2AKCNH2HTR2CHTR6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489085-B1 RIGID-ROD POLYMERS MISSISSIPPI POLYMER TECHNOLOGI (US) 2005-12-07 EP claimed
EP-0489085-A4 RIGID-ROD POLYMERS MAXDEM INC (US) 1992-08-05 EP claimed
EP-0489085-A1 RIGID-ROD POLYMERS MAXDEM INCORPORATED (US) 1992-06-10 EP claimed
WO-1991002764-A1 RIGID-ROD POLYMERS MAXDEM INCORPORATED (US) 1991-03-07 WO claimed
US-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 US disclosed
US-20230183224-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-06-15 US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
EP-3573987-B1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-03-10 EP disclosed
US-20200308158-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-10-01 US disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO disclosed
US-9951086-B2 Indazolecarboxamides, processes for their preparation, pharmaceutical preparations comprising them and their use for producing medicaments BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-27 US disclosed
US-20070117823-A1 N-sulfamoyl-N'-benzopyranpiperidine compounds and uses thereof SOLVAY PHARMACEUTICALSS GMBH (DE) 2007-05-24 US disclosed
US-6875551-B2 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 2005-04-05 US disclosed
US-20040161694-A1 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2004-08-19 US disclosed
EP-1147084-B1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME (GB) 2004-05-19 EP disclosed
US-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists MERCK PATENT GMBH (DE) 2003-07-10 US disclosed
US-6559166-B1 A class of phenylsulphonyl derivatives wherein the sulphonyl moiety is also attached to an N-arylalkyl-substituted azetidine, pyrrolidine or piperidine ring are selective antagonists of the human 5-HT2A receptor and are therefore MERCK SHARP & DOHME LTD. 2003-05-06 US disclosed
EP-1147084-A1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LTD. (GB) 2001-10-24 EP disclosed
WO-2000043362-A1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2000-07-27 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 (7 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-20230183224-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS LPL, LIPC, PNLIP HTR2A 3075/4885KCNH2 1780/4885HTR2C 3324/4885
US-20070117823-A1 N-sulfamoyl-N'-benzopyranpiperidine compounds and uses thereof SCN2A, NAPEPLD, SCN5A HTR2A 259/4885KCNH2 903/4885HTR2C 874/4885
US-20200308158-A1 BEZOXAZINE DERIVATIVES USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS LPL, LIPC, PNLIP HTR2A 3075/4885KCNH2 1780/4885HTR2C 3324/4885
US-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 HTR2A 292/4885KCNH2 4440/4885HTR2C 235/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 HTR2A 292/4885KCNH2 4440/4885HTR2C 235/4885
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS MALT1, APC, UACA HTR2A 1802/4885KCNH2 2266/4885HTR2C 1205/4885
US-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists HTR2A, HTR1A, HTR5A HTR2A 1/4885KCNH2 914/4885HTR2C 5/4885

“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.