SCHEMBL12869174

SCHEMBL12869174

NCCCCc1ccc(OCC(O)COCC(O)CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.44
▸ S1PR1 P21453 1/20 0.43
▸ SCNN1A P37088 3/20 0.42
▸ ADRB2 P07550 6/20 0.41
▸ ADRB1 P08588 4/20 0.41
▸ ADRB3 P13945 3/20 0.41
▸ NR3C1 P04150 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ CYP2J2 P51589 1/20 0.39
▸ PDE4D Q08499 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
SCHEMBL2332175 0.94 AR (0.48) ARS1PR1SCNN1AADRB2ADRB1
SCHEMBL2361313 0.94 AR (0.48) ARS1PR1SCNN1AADRB2ADRB1
SCHEMBL2328950 0.94 AR (0.48) ARS1PR1SCNN1AADRB2ADRB1
Hydrochloric Acid SCHEMBL16498773 0.93 AR (0.47) ARS1PR1SCNN1AADRB2ADRB1
SCHEMBL12869175 0.86 S1PR1 (0.58) ARS1PR1ADRB2ADRB1ADRB3
SCHEMBL708870 0.82 MAPK1 (0.43) ARS1PR1SCNN1A
SCHEMBL1587135 0.82 AR (0.50) ARS1PR1SCNN1AADRB2ADRB1
SCHEMBL1587139 0.82 AR (0.50) ARS1PR1SCNN1AADRB2ADRB1
SCHEMBL2328231 0.81 LTA4H (0.42) S1PR1ADRB2ADRB1ADRB3
SCHEMBL1135505 0.81 LTA4H (0.54) ARS1PR1ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663235-B1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2013-07-24 — — EP disclosed
US-8431579-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-04-30 — — US disclosed
US-8431579-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-04-30 — — US disclosed
US-20110046158-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2011-02-24 — — US disclosed
US-20110046158-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2011-02-24 — — US 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-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-20090018144-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-01-15 — — US disclosed
US-20090018144-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-01-15 — — US disclosed
US-7410968-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-08-12 — — US disclosed
US-20080167466-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-07-10 — — US disclosed
US-20080167466-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-07-10 — — US disclosed
US-7388013-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-06-17 — — US disclosed
US-7388013-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-06-17 — — US disclosed
US-7368451-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-05-06 — — US disclosed
US-7368451-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-05-06 — — US disclosed
US-7368447-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-05-06 — — US disclosed
US-7368447-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-05-06 — — US disclosed
US-7247637-B2 Capped pyrazinoylguanidine 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110046158-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 AR 3903/4885S1PR1 868/4885SCNN1A 65/4885
US-20080167466-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 AR 3903/4885S1PR1 868/4885SCNN1A 65/4885
US-20090018144-A1 CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS SCNN1B, SCNN1G, SCNN1A AR 3993/4885S1PR1 954/4885SCNN1A 3/4885

“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.

Send feedback