SCHEMBL2328308

SCHEMBL2328308

NCCCCc1ccccc1N

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
HRH1 P35367 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
TAAR1 Q96RJ0 6/20 0.41
TLR8 Q9NR97 3/20 0.41
MPO P05164 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30498596 0.93 SIGMAR1 (0.43) MAOASIGMAR1TAAR1TLR8MPO
SCHEMBL5928190 0.93 SIGMAR1 (0.43) MAOASIGMAR1TAAR1TLR8MPO
SCHEMBL23159850 0.91 ALOX15 (0.47) MAOASIGMAR1TAAR1TLR8CYP3A4
Decylamine SCHEMBL27326498 0.89 TLR8 (0.54) TLR8
SCHEMBL23159817 0.88 SIGMAR1 (0.46) MAOASIGMAR1TAAR1CYP3A4ALOX15
SCHEMBL3680377 0.85 MAOA (0.61) MAOAHRH1TAAR1MPOSLC6A4
SCHEMBL23159894 0.85 ALOX15 (0.47) SIGMAR1TAAR1CYP3A4ALOX15CASP1
SCHEMBL6004011 0.83 SIGMAR1 (0.46) SIGMAR1TAAR1CYP3A4ALOX15CASP1
SCHEMBL30929931 0.83 SIGMAR1 (0.46) SIGMAR1TAAR1CYP3A4ALOX15CASP1
SCHEMBL26077417 0.83 MAOA (0.58) MAOAHRH1TAAR1TLR8MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11307183-B2 Methods for determination of polar pesticides by chromatography WATERS TECHNOLOGIES CORPORATION (US) 2022-04-19 US disclosed
US-10167266-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2019-01-01 US disclosed
US-20170267650-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2017-09-21 US disclosed
US-20150376146-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2015-12-31 US disclosed
US-8846688-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2014-09-30 US disclosed
US-20140179625-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-06-26 US disclosed
US-20130012692-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2013-01-10 US disclosed
US-8227474-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2012-07-24 US disclosed
US-8198286-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2012-06-12 US disclosed
EP-1485360-B1 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2011-08-17 EP disclosed
US-20040204425-A1 Such as 4-(4-hydroxyphenyl)butylamidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride; time-release agents; for therapy of chronic bronchitis, emphysema, cystic fibrosis, and eye disorders PARION SCIENCES, INC. (US) 2004-10-14 US disclosed
US-20040198749-A1 Broncholdilator agents; hydration of mucous membranes; respiratory system disorders PARION SCIENCES, INC. 2004-10-07 US disclosed
US-20040198748-A1 Antihistamines; bronchodilators; antiinflammatory agents; inflammatory bowel disorders PARION SCIENCES, INC. 2004-10-07 US disclosed
US-20030199456-A1 Treating diseases characterized by too little liquid on mucosal surfaces using a\"topical\" sodium channel blocker designed to increased potency, reduced mucosal absorption, and slow dissociation; 2,6-diaminopyrazine derivatives CYFI, INC. (US) 2003-10-23 US disclosed
WO-2003070182-A2 SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2003-08-28 WO disclosed
US-20020032262-A1 2-aminoarylmethylamine solid support templated for preparation of highly functionalized heterocycle compounds ZHANG JINFANG (US) 2002-03-14 US disclosed
US-4496567-A HSITAMINE H2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-01-29 US disclosed
EP-0013071-B1 PYRIMIDINONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-11-16 EP disclosed
EP-0013071-A1 Pyrimidinone derivatives, processes for preparing them and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-09 EP disclosed
WO-1980000966-A1 NEW HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1980-05-15 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 (9 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-20170267650-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A MAOA 1356/4885HRH1 1825/4885SIGMAR1 1415/4885
US-10167266-B2 Sodium channel blockers SCNN1B, SCNN1A, SCNN1G MAOA 2060/4885HRH1 665/4885SIGMAR1 1538/4885
US-20150376146-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A MAOA 1356/4885HRH1 1825/4885SIGMAR1 1415/4885
US-20140179625-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A MAOA 1356/4885HRH1 1825/4885SIGMAR1 1415/4885
US-20040204425-A1 Such as 4-(4-hydroxyphenyl)butylamidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride; time-release agents; for therapy of chronic bronchitis, emphysema, cystic fibrosis, and eye disorders CFTR, TRPC4, TRPC5 MAOA 1479/4885HRH1 229/4885SIGMAR1 3046/4885
US-20040198749-A1 Broncholdilator agents; hydration of mucous membranes; respiratory system disorders AQP1, TRPV1, AQP3 MAOA 2372/4885HRH1 174/4885SIGMAR1 2011/4885
US-20130012692-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A MAOA 1356/4885HRH1 1825/4885SIGMAR1 1415/4885
US-20030199456-A1 Treating diseases characterized by too little liquid on mucosal surfaces using a\"topical\" sodium channel blocker designed to increased potency, reduced mucosal absorption, and slow dissociation; 2,6-diaminopyrazine derivatives SCNN1B, KCNN2, KCNN1 MAOA 1540/4885HRH1 787/4885SIGMAR1 1426/4885
US-20040198748-A1 Antihistamines; bronchodilators; antiinflammatory agents; inflammatory bowel disorders HRH4, HRH2, HRH1 MAOA 842/4885HRH1 3/4885SIGMAR1 417/4885

“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.