SCHEMBL3968098

SCHEMBL3968098

CC(C)N1CCN(c2ccc3cc(C#N)ccc3n2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.65
HTR3A P46098 3/20 0.46
HRH4 Q9H3N8 2/20 0.46
HTR1A P08908 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C8 P10632 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
CYP1A2 P05177 2/20 0.40
THPO P40225 2/20 0.40

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 SCHEMBL3975852 0.99 HRH3 (0.64) HRH3HTR3AHRH4HTR1ACYP3A4
SCHEMBL5912601 0.81 HRH3 (0.67) HRH3HTR3AHRH4HTR1ACYP3A4
SCHEMBL13648828 0.80 HRH3 (0.65) HRH3HTR3AHRH4ALDH1A1KDM4E
SCHEMBL13648823 0.80 HTR3A (0.72) HRH3HTR3AHRH4HTR1AALDH1A1
SCHEMBL13648909 0.80 HRH3 (0.65) HRH3HTR3AHRH4HTR1AALDH1A1
SCHEMBL3967656 0.80 HRH3 (0.65) HRH3HTR3AHRH4HTR1AALDH1A1
SCHEMBL13648814 0.80 HRH3 (0.65) HRH3HTR3AHRH4HTR1AALDH1A1
SCHEMBL3977413 0.79 HRH3 (1.00) HRH3HTR1ACYP3A4CYP2C19CYP2C8
Hydrochloric Acid SCHEMBL3972842 0.78 HRH3 (0.63) HRH3HTR3AHRH4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3967619 0.78 HRH3 (0.63) HRH3HTR3AHRH4HTR1AALDH1A1

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 1/4885HTR3A 38/4885HRH4 3/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885HTR3A 38/4885HRH4 3/4885

“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.