SCHEMBL6575574

SCHEMBL6575574

CS(=O)(=O)Nc1ccc(OCCBr)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
AR P10275 1/20 0.58
KCNH2 Q12809 2/20 0.57
CACNA1F O60840 1/20 0.57
CHRM2 P08172 1/20 0.57
ACHE P22303 1/20 0.57
AGTR1 P30556 1/20 0.57
DRD3 P35462 1/20 0.57
CACNA1D Q01668 1/20 0.57
CACNA1S Q13698 1/20 0.57
CACNA1C Q13936 1/20 0.57
LMNA P02545 3/20 0.56
MAPK1 P28482 2/20 0.56
LTA4H P09960 1/20 0.56
PGR P06401 1/20 0.53
GRIN1 Q05586 4/20 0.51
GRIN2B Q13224 4/20 0.51

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
SCHEMBL10461990 0.92 NPC1 (0.71) NPC1RAB9AHPGDSMN1; SMN2AR
SCHEMBL14113144 0.84 NPC1 (0.93) NPC1RAB9AHPGDSMN1; SMN2AR
SCHEMBL5145130 0.83 NPC1 (0.69) NPC1RAB9AHPGDSMN1; SMN2AR
SCHEMBL9123987 0.83 NPC1 (0.69) NPC1RAB9AHPGDSMN1; SMN2AR
SCHEMBL92225 0.83 NPC1 (0.69) NPC1RAB9AHPGDSMN1; SMN2AR
SCHEMBL9732793 0.83 NPC1 (0.73) NPC1RAB9AHPGDSMN1; SMN2AR
SCHEMBL9732903 0.81 NPC1 (0.71) NPC1RAB9AHPGDSMN1; SMN2AR
SCHEMBL9389817 0.81 NPC1 (0.67) NPC1RAB9AHPGDSMN1; SMN2AR
SCHEMBL8795293 0.81 NPC1 (0.71) NPC1RAB9AHPGDSMN1; SMN2AR
SCHEMBL10425925 0.81 NPC1 (0.66) NPC1RAB9AHPGDSMN1; SMN2AR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 EP disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 EP disclosed
US-20030044845-A1 Novel therapeutic agents for membrane transporters THERAVANCE BIOPHARMA R&D IP, LLC 2003-03-06 US disclosed
EP-0824098-B1 4-hydroxy-piperidine derivatives HOFFMANN LA ROCHE (CH) 2001-10-31 EP disclosed
WO-1999064045-A9 NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS ADVANCED MEDICINE INC (US) 2001-07-05 WO disclosed
EP-1086063-A4 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES ADVANCED MEDICINE INC (US) 2001-03-28 EP disclosed
EP-1086063-A1 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES Advanced Medicine, Inc. (US) 2001-03-28 EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
WO-1999064050-A9 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES ADVANCED MEDICINE INC (US) 2000-04-20 WO disclosed
WO-1999064050-A1 NOVEL POTASSIUM CHANNEL DRUGS AND THEIR USES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
US-5889026-A 4-hydroxy-piperodine derivatives HOFFMANN-LA ROCHE INC. (US) 1999-03-30 US disclosed
EP-0431943-B1 Spiro(pyran)piperidine derivatives MERCK & CO INC (US) 1998-07-15 EP disclosed
EP-0824098-A1 4-hydroxy-piperidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-02-18 EP disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 EP disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 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 (1 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-20030044845-A1 Novel therapeutic agents for membrane transporters SLC47A2, SLC8B1, SLC47A1 NPC1 220/4885RAB9A 1595/4885HPGD 2570/4885

“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.