SCHEMBL3700679

SCHEMBL3700679

O=C(CCc1ccccc1)N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 1.00
TDP1 Q9NUW8 1/20 1.00
NAAA Q02083 1/20 0.81
FKBP1A P62942 1/20 0.73
POLB P06746 2/20 0.69
HPGD P15428 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
TSHR P16473 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
PKM P14618 1/20 0.63
STAT1 P42224 1/20 0.63
RAB9A P51151 1/20 0.63
ME2 P23368 1/20 0.63
ME1 P48163 1/20 0.63
ME3 Q16798 1/20 0.63
GFER P55789 1/20 0.61
MAPT P10636 1/20 0.61

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
SCHEMBL17087869 0.98 NPC1 (0.96) NPC1TDP1NAAAFKBP1APOLB
SCHEMBL6285963 0.98 NPC1 (0.96) NPC1TDP1NAAAFKBP1APOLB
SCHEMBL25432319 0.96 NPC1 (0.93) NPC1TDP1NAAAFKBP1APOLB
SCHEMBL7131839 0.92 NPC1 (0.86) NPC1TDP1NAAAFKBP1APOLB
SCHEMBL16333764 0.90 NAAA (1.00) NPC1TDP1NAAAFKBP1APOLB
SCHEMBL8599293 0.89 NPC1 (0.81) NPC1TDP1NAAAHPGDSMN1; SMN2
SCHEMBL10371234 0.88 NPC1 (0.78) NPC1TDP1NAAAHPGDSMN1; SMN2
SCHEMBL7376148 0.86 NPC1 (0.76) NPC1TDP1NAAAHPGDSMN1; SMN2
SCHEMBL3796874 0.86 NPC1 (0.75) NPC1TDP1NAAAFKBP1APOLB
SCHEMBL14747850 0.84 NPC1 (0.73) NPC1TDP1NAAAFKBP1APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US claimed
US-7074783-B2 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-07-11 US claimed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP claimed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO claimed
WO-2024108198-A2 METHODS OF TREATING OBESITY WITH AN MC4R AGONIST RHYTHM PHARMACEUTICALS, INC. (US) 2024-05-23 WO disclosed
CN-112898233-B Method for preparing amide compound by photocatalytic nitrogen-containing heterocyclic compound 中南大学 2022-09-16 CN disclosed
CN-112898233-A Method for preparing amide compound by photocatalytic nitrogen-containing heterocyclic compound 中南大学 2021-06-04 CN disclosed
CN-108341733-B Novel electronic salt system and reduction method of unsaturated hydrocarbon compound 中国农业大学 2021-01-08 CN disclosed
EP-2200609-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-06-30 EP disclosed
EP-2198864-A1 Pharmaceutical compositions having an analgesic effect and containing 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino propionic acid amides or related compounds Allergan, Inc. (US) 2010-06-23 EP disclosed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-7074783-B2 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-07-11 US disclosed
EP-1633349-A1 4-BROMO-5- (2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (1-(AMINOCARBONYL) ETH-1-YL) AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
US-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-17 US disclosed
WO-2004098590-A1 4-BROMO-5- (2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (1-(AMINOCARBONYL) ETH-1-YL) AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-15 US 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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK NPC1 3747/4885TDP1 4459/4885NAAA 275/4885
US-20050038099-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 NPC1 1217/4885TDP1 3017/4885NAAA 1257/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK NPC1 3767/4885TDP1 4513/4885NAAA 64/4885
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists BDKRB1, BDKRB2, HRH2 NPC1 2115/4885TDP1 3995/4885NAAA 161/4885

“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.