SCHEMBL3976099

SCHEMBL3976099

COc1ccc2nc(N3CCN(CC4CC4)CC3)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.68
KDM2B Q8NHM5 13/20 0.46
HTR1A P08908 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44

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 SCHEMBL3970713 0.99 HRH3 (0.67) HRH3KDM2BHTR1AHTR2AHTR2C
SCHEMBL4215600 0.85 HRH3 (0.67) HRH3HTR1A
SCHEMBL11762117 0.81 HRH3 (0.62) HRH3HTR1AHTR2A
SCHEMBL13648776 0.81 HRH3 (1.00) HRH3KDM2BHTR1A
Hydrochloric Acid SCHEMBL3971642 0.80 HRH3 (0.97) HRH3KDM2BHTR1A
SCHEMBL13654252 0.79 HRH3 (0.70) HRH3
SCHEMBL3972824 0.79 KDM4E (0.46) HRH3KDM2BHTR2AHTR2C
SCHEMBL25488441 0.79 HRH3 (0.69) HRH3
Hydrochloric Acid SCHEMBL3975821 0.78 KDM4E (0.45) HRH3KDM2BHTR2AHTR2C
SCHEMBL13648942 0.78 HRH3 (0.67) HRH3HTR1AHTR2C

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
CN-101805298-A Novel aryl-with heteroaryl-piperazine HIGH POINT PHARMACEUTICALS LLC 2010-08-18 CN 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
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
CN-1628109-A Novel aryl-and heteroaryl-piperazines NOVO NORDISK AS (DK) 2005-06-15 CN disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 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

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 1/4885KDM2B 1203/4885HTR1A 45/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885KDM2B 1203/4885HTR1A 45/4885

“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.