SCHEMBL3976089

SCHEMBL3976089

CCCc1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.63
KCNH2 Q12809 2/20 0.52
HTR3A P46098 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43

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
Hydrochloric Acid SCHEMBL3971596 0.99 HRH3 (0.62) HRH3KCNH2HTR3AHRH4IRAK4
SCHEMBL13648850 0.86 HRH3 (0.63) HRH3KCNH2HRH4
Hydrochloric Acid SCHEMBL3969987 0.85 HRH3 (0.61) HRH3KCNH2HRH4
SCHEMBL13648781 0.81 HRH3 (0.59) HRH3KCNH2HTR3AHRH4
Hydrochloric Acid SCHEMBL3970898 0.80 HRH3 (0.58) HRH3KCNH2HTR3AHRH4
SCHEMBL13648840 0.78 HRH3 (0.72) HRH3HTR3AHRH4
SCHEMBL13648774 0.78 HRH3 (1.00) HRH3HTR3AHRH4
SCHEMBL13648776 0.77 HRH3 (1.00) HRH3HTR3AHRH4
SCHEMBL13648829 0.77 HRH3 (0.66) HRH3HTR3AHRH4
Hydrochloric Acid SCHEMBL3973403 0.76 HRH3 (0.70) HRH3HTR3AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
EP-1446386-A1 BENZIMIDAZOL- OR INDOL-AMINOACETONITRILE DERIVATIVES FOR PARASITE CONTROL Novartis AG (CH) 2004-08-18 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 WO disclosed
WO-2003042184-A1 BENZIMIDAZOL- OR INDOL-AMINOACETONITRILE DERIVATIVES FOR PARASITE CONTROL NOVARTIS AG (CH) 2003-05-22 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 (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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885KCNH2 637/4885HTR3A 38/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885KCNH2 637/4885HTR3A 38/4885

“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.