SCHEMBL3965636

SCHEMBL3965636

CCC(CC)N1CCN(c2cc(C(F)(F)F)c3ccccc3n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
KMT2A Q03164 1/20 0.45
HTR3A P46098 2/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 3/20 0.44
BACE1 P56817 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
ACHE P22303 1/20 0.43
EGFR P00533 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
ADRB1 P08588 1/20 0.41
NCF1 P14598 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.39

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 SCHEMBL3977169 0.99 HRH3 (0.57) HRH3KMT2AHTR3AKDM4EGAA
SCHEMBL3971448 0.83 KMT2A (0.67) HRH3KMT2AHTR3AKDM4EGAA
Hydrochloric Acid SCHEMBL3971486 0.81 KMT2A (0.65) HRH3KMT2AHTR3AKDM4EGAA
SCHEMBL3971032 0.74 HRH3 (1.00) HRH3HTR3AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL3976272 0.73 HRH3 (0.97) HRH3HTR3AKDM4EALDH1A1HPGD
SCHEMBL3971612 0.72 EGFR (0.51) HRH3KMT2AKDM4EGAAL3MBTL1
Hydrochloric Acid SCHEMBL3972947 0.71 EGFR (0.50) HRH3KMT2AKDM4EGAAL3MBTL1
SCHEMBL10206921 0.69 BACE1 (0.37) KMT2AHTR3AKDM4EGAABACE1
SCHEMBL19405294 0.68 BACE1 (0.58) KMT2AKDM4EGAABACE1L3MBTL1
SCHEMBL19398568 0.68 BACE1 (0.58) KMT2AGAABACE1L3MBTL1ALDH1A1

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 1/4885KMT2A 301/4885HTR3A 38/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885KMT2A 301/4885HTR3A 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.