SCHEMBL3975909

SCHEMBL3975909

CC(C)N1CCN(c2ccc3cc4c(cc3n2)OCCO4)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.58
OGA O60502 12/20 0.47
HTR3A P46098 2/20 0.41
HRH4 Q9H3N8 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRNA7 P36544 1/20 0.40
PDE10A Q9Y233 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CYP1A2 P05177 1/20 0.38
THPO P40225 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38

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
SCHEMBL13648877 0.92 HRH3 (0.58) HRH3OGA
Hydrochloric Acid SCHEMBL3973802 0.91 HRH3 (0.57) HRH3OGA
SCHEMBL13648833 0.77 HRH3 (0.59) HRH3HTR3AHRH4KDM4EALDH1A1
SCHEMBL13648822 0.76 HRH3 (0.67) HRH3HTR3AHRH4KDM4EALDH1A1
SCHEMBL13648813 0.76 HRH3 (0.67) HRH3HTR3AHRH4KDM4EALDH1A1
SCHEMBL13648811 0.76 HRH3 (0.58) HRH3OGAHTR3AHRH4KDM4E
Hydrochloric Acid SCHEMBL3971463 0.76 HRH3 (0.58) HRH3HTR3AHRH4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3970692 0.75 HRH3 (0.65) HRH3HTR3AHRH4KDM4EALDH1A1
SCHEMBL13648828 0.75 HRH3 (0.65) HRH3OGAHTR3AHRH4KDM4E
SCHEMBL3967656 0.75 HRH3 (0.65) HRH3HTR3AHRH4KDM4EALDH1A1

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 6 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
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 1/4885OGA 4695/4885HTR3A 38/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885OGA 4695/4885HTR3A 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.