SCHEMBL3529110

SCHEMBL3529110

NCCCCCCc1cncnc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 11/20 0.60
CYP2A6 P11509 1/20 0.48
HRH3 Q9Y5N1 4/20 0.47
HRH4 Q9H3N8 3/20 0.47
HRH2 P25021 2/20 0.47
MAOA P21397 1/20 0.46

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
SCHEMBL7285541 0.98 HRH1 (0.57) HRH1CYP2A6HRH3HRH4HRH2
SCHEMBL10423050 0.91 CYP2A6 (0.57) HRH1CYP2A6HRH3HRH4HRH2
Hydrochloric Acid SCHEMBL18985043 0.88 CYP2A6 (0.55) HRH1CYP2A6HRH3HRH4HRH2
SCHEMBL8817088 0.80
SCHEMBL9699198 0.77 TDP1 (0.57)
SCHEMBL10349991 0.77 HRH1 (0.37) HRH1CYP2A6
SCHEMBL15545209 0.77 TDP1 (0.57)
SCHEMBL8576168 0.77 TDP1 (0.57)
SCHEMBL9567007 0.77 TDP1 (0.57)
SCHEMBL30505582 0.77 CA2 (0.40) HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807682-B2 Pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2010-10-05 US disclosed
EP-1397355-B1 PYRIDYL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2009-09-09 EP disclosed
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2008-04-17 US disclosed
US-7304066-B2 Pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2007-12-04 US disclosed
US-20040220408-A1 Novel pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2004-11-04 US disclosed
EP-1397355-A1 PYRIDYL CYANOGUANIDINE COMPOUNDS Leo Pharma A/S (DK) 2004-03-17 EP disclosed
WO-2002094813-A1 NOVEL PYRIDYL CYANOGUANIDINE COMPOUNDS LEO PHARMA A/S (DK) 2002-11-28 WO disclosed
US-4927838-A CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
EP-0298466-A2 Substituted alkene carboxylic acid amides and derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP disclosed
EP-0094080-B1 PYRIDO(2,1-B)QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-09-09 EP disclosed
US-4551460-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1985-11-05 US disclosed
EP-0094080-A2 Pyrido(2,1-b)quinazoline derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-16 EP 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 (2 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-20040220408-A1 Novel pyridyl cyanoguanidine compounds DAO, AOC1, SIGMAR1 HRH1 365/4885CYP2A6 270/4885HRH3 280/4885
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds DAO, CCNY, CBR1 HRH1 151/4885CYP2A6 221/4885HRH3 61/4885

“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.