SCHEMBL3971032

SCHEMBL3971032

CCC(CC)N1CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 1.00
KDM4E B2RXH2 6/20 0.63
ALDH1A1 P00352 6/20 0.63
TDP1 Q9NUW8 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 1/20 0.63
HPGD P15428 1/20 0.63
HTR3E A5X5Y0 2/20 0.63
HTR3B O95264 2/20 0.63
CYP1A2 P05177 2/20 0.63
HTR3A P46098 2/20 0.63
HTR3D Q70Z44 2/20 0.63
HTR3C Q8WXA8 2/20 0.63
THPO P40225 1/20 0.63
HRH4 Q9H3N8 1/20 0.63
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
HTR1A P08908 3/20 0.55
USP2 O75604 1/20 0.55
ADRB1 P08588 1/20 0.55

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 SCHEMBL3976272 0.99 HRH3 (0.97) HRH3KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL13648771 0.83 HRH3 (1.00) HRH3KDM4EALDH1A1TDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL3965630 0.82 HRH3 (0.97) HRH3KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL3970431 0.80 HRH3 (1.00) HRH3KDM4EALDH1A1TDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL3973471 0.79 HRH3 (0.97) HRH3KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL3971537 0.79 HRH3 (0.64) HRH3KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL3971448 0.78 KMT2A (0.67) HRH3KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL606721 0.78 HRH3 (1.00) HRH3KDM4EALDH1A1TDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL3972517 0.78 HRH3 (0.63) HRH3KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL3967579 0.77 HRH3 (0.62) HRH3KDM4EALDH1A1TDP1SMN1; SMN2

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 1/4885KDM4E 1574/4885ALDH1A1 2719/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885KDM4E 1574/4885ALDH1A1 2719/4885

“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.