SCHEMBL4860396

SCHEMBL4860396

COc1ccc(CCCCN)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
APLNR P35414 1/20 0.54
CYP1A2 P05177 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL626051 0.87 TAAR1 (0.73) ADRA1ATAAR1APLNRCYP1A2
SCHEMBL30107392 0.87 APLNR (0.63) ADRA1ATAAR1APLNRCYP1A2CA12
SCHEMBL22939735 0.84 APLNR (0.56) APLNR
Methylamine SCHEMBL27659015 0.83 HTR2A (0.54) APLNR
SCHEMBL4862695 0.83 APLNR (0.54) ADRA1ATAAR1APLNRCA12CA1
SCHEMBL30358658 0.83 MEN1 (0.56) APLNR
SCHEMBL1171776 0.83 MEN1 (0.56) APLNR
SCHEMBL8160809 0.83 APLNR (0.54) ADRA1ATAAR1APLNRCA12CA1
SCHEMBL9417780 0.82 APLNR (0.58) ADRA1ATAAR1APLNRCA12CA1
SCHEMBL13528991 0.81 APLNR (0.53) ADRA1ATAAR1APLNRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368450-B2 Antihistamines; bronchodilators; antiinflammatory agents; inflammatory bowel disorders PARION SCIENCES, INC. (US) 2008-05-06 US disclosed
EP-1485359-B1 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2007-12-05 EP disclosed
US-7247636-B2 Phenolic guanidine 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-7192958-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2007-03-20 US disclosed
EP-1485359-A4 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2006-03-22 EP disclosed
US-6858614-B2 Phenolic guanidine sodium channel blockers PARION SCIENCES, INC. (US) 2005-02-22 US disclosed
EP-1485359-A2 SODIUM CHANNEL BLOCKERS Johnson, Michael R. (US) 2004-12-15 EP disclosed
US-20040204424-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. 2004-10-14 US disclosed
US-20040198745-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2004-10-07 US disclosed
US-20040198746-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2004-10-07 US disclosed
US-20040198747-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2004-10-07 US disclosed
US-20040198744-A1 Methods of using phenolic guanidine sodium channel blockers PARION SCIENCES, INC. 2004-10-07 US disclosed
US-20030195160-A1 Sodium channel blockers CYFI, INC. 2003-10-16 US disclosed
WO-2003070184-A2 SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2003-08-28 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 (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-20040204424-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 ADRA1A 599/4885TAAR1 1320/4885APLNR 1059/4885
US-20030195160-A1 Sodium channel blockers HCN4, SCN2B, SCN5A ADRA1A 307/4885TAAR1 1082/4885APLNR 854/4885
US-20040198747-A1 Sodium channel blockers HCN4, SCN2B, SCN5A ADRA1A 307/4885TAAR1 1082/4885APLNR 854/4885
US-20040198745-A1 Sodium channel blockers SCN2B, SCN4A, SCN1B ADRA1A 150/4885TAAR1 634/4885APLNR 1503/4885
US-20040198744-A1 Methods of using phenolic guanidine sodium channel blockers KCNH2, KCNH3, KCNJ1 ADRA1A 250/4885TAAR1 1072/4885APLNR 1484/4885
US-20040198746-A1 Sodium channel blockers HCN4, SCN2B, SCN5A ADRA1A 307/4885TAAR1 1082/4885APLNR 854/4885

“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.