SCHEMBL3602109

SCHEMBL3602109

Cc1nn(CCCN2CCCCC2)nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.50
KCNH2 Q12809 3/20 0.50
HRH1 P35367 1/20 0.50
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
HRH4 Q9H3N8 1/20 0.48

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
SCHEMBL3597755 0.82 HRH3 (0.52) HRH3KCNH2HRH1HRH4
SCHEMBL3594803 0.80 HRH3 (0.51) HRH3KCNH2HRH1HRH4
SCHEMBL3602354 0.79 HRH3 (0.55) HRH3KCNH2HRH1HRH4
SCHEMBL3599589 0.78 HRH3 (0.56) HRH3KCNH2HRH1HRH4
SCHEMBL3599212 0.72 CYP1A2 (0.54) HRH3KCNH2HRH1DRD3
SCHEMBL467285 0.72 HRH3 (0.51) HRH3KCNH2HRH1HRH4
SCHEMBL3606647 0.72 HRH3 (0.51) HRH3KCNH2HRH1HRH4
SCHEMBL11846475 0.72 HSD17B10 (0.60) HRH3KCNH2HRH1
SCHEMBL11830995 0.72 KDM4E (0.44) HRH3DRD2DRD3
Biphenyl SCHEMBL27739086 0.72 HRH3 (0.61) HRH3KCNH2HRH1HRH4

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
EP-2097392-B1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2013-03-13 EP claimed
US-8193223-B2 1,2,3-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-05 US claimed
US-20100004265-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. 2010-01-07 US claimed
EP-2097392-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP claimed
WO-2008055933-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-05-15 WO claimed
EP-1921071-A1 1,2,3- triazole derivatives as sigma receptor inhibitors Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP claimed
EP-2097392-B1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2013-03-13 EP disclosed
US-8193223-B2 1,2,3-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-05 US disclosed
US-20100004265-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. 2010-01-07 US disclosed
EP-2097392-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP disclosed
WO-2008055933-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-05-15 WO disclosed
EP-1921071-A1 1,2,3- triazole derivatives as sigma receptor inhibitors Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 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 (1 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-20100004265-A1 1,2,3-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, OPRK1, OPRD1 HRH3 244/4885KCNH2 623/4885HRH1 247/4885

“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.