SCHEMBL9914994

SCHEMBL9914994

Oc1ccc(CCCCNBr)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.53
▸ ADRA2A P08913 2/20 0.53
▸ ADORA3 P0DMS8 2/20 0.53
▸ TACR2 P21452 2/20 0.53
▸ SLC6A2 P23975 2/20 0.53
▸ SLC6A4 P31645 2/20 0.53
▸ SLC6A3 Q01959 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ SHBG P04278 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ HSPD1 P10809 1/20 0.53
▸ ADRB3 P13945 1/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ HSPE1 P61604 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ TST Q16762 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53

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
SCHEMBL29690338 0.85 TMEM97 (0.61) ESR1ADRA2ASLC6A2SLC6A4SLC6A3
SCHEMBL449737 0.82 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9166790 0.79 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7784766 0.79 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9165397 0.79 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL5684044 0.79 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL8398450 0.79 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL2777921 0.79 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL4631265 0.79 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL253453 0.79 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267650-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2017-09-21 — — 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-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-7868010-B2 N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N-(4-{4-[3-(1H-tetrazol-5-yl)propoxy]phenyl}butyl)guanidine hydrochloride; absorbed less rapidly from mucosal surfaces, less reversible PARION SCIENCES, INC. (US) 2011-01-11 — — US disclosed
US-20090227530-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-09-10 — — US disclosed
US-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-03-05 — — US disclosed
US-7410968-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-08-12 — — US disclosed
US-20080176863-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-07-24 — — US disclosed
US-7368451-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-05-06 — — US disclosed
US-7332496-B2 Broncholdilator agents; hydration of mucous membranes; respiratory system disorders PARION SCIENCES, INC. (US) 2008-02-19 — — US disclosed
US-20070265280-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2007-11-15 — — US disclosed
US-7247636-B2 Phenolic guanidine sodium channel blockers PARION SCIENCES, INC. (US) 2007-07-24 — — US disclosed
US-7247637-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2007-07-24 — — US disclosed
US-7241766-B2 Methods of using phenolic guanidine sodium channel blockers PARION SCIENCES, INC. (US) 2007-07-10 — — US disclosed
US-7192959-B2 Antihistamines; antiinflammatory agents; bronchodilator agents; inflammatory bowel disorders; psoriasis PARION SCIENCES, INC. (US) 2007-03-20 — — US disclosed
US-7192960-B2 Antihistamines; bronchodilators; antiinflammatory agents; inflammatory bowel disorders PARION SCIENCES, INC. (US) 2007-03-20 — — US disclosed
US-7192958-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2007-03-20 — — US disclosed
US-7189719-B2 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; long half-life on mucosal surfaces; pyrazinoylguanidine derivatives PARION SCIENCES, INC. (US) 2007-03-13 — — 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 (6 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 ESR1 4537/4885ADRA2A 215/4885ADORA3 754/4885
US-20080176863-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 ESR1 4878/4885ADRA2A 299/4885ADORA3 1890/4885
US-20070265280-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B ESR1 4416/4885ADRA2A 170/4885ADORA3 434/4885
US-20140179625-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ESR1 4537/4885ADRA2A 215/4885ADORA3 754/4885
US-20090227530-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A ESR1 4537/4885ADRA2A 215/4885ADORA3 754/4885
US-20090062308-A1 METHODS OF USING SODIUM CHANNEL BLOCKERS SCN1B, KCNN3, SCN2B ESR1 4416/4885ADRA2A 170/4885ADORA3 434/4885

“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.

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