SCHEMBL3974975

SCHEMBL3974975

CCC(CC)N1CCN(c2ccc(C3CCCCN3C=O)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
HDAC4 P56524 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CHRNA7 P36544 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ACACB O00763 2/20 0.34
ACHE P22303 1/20 0.34
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
GPR119 Q8TDV5 1/20 0.32

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 SCHEMBL3972307 0.99 HRH3 (0.39) HRH3HDAC4KDM4ECHRNA7GAA
SCHEMBL3975123 0.81 HRH3 (0.41) HRH3CHRNA7ACHE
Hydrochloric Acid SCHEMBL3972229 0.80 HRH3 (0.41) HRH3CHRNA7ALDH1A1CYP3A4RECQL
Hydrochloric Acid SCHEMBL3977317 0.80 HRH3 (0.41) HRH3CHRNA7ALDH1A1CYP3A4RECQL
SCHEMBL1743020 0.80 HDAC4 (0.40) HRH3HDAC4
Hydrochloric Acid SCHEMBL3971041 0.77 HRH3 (0.40) HRH3CHRNA7
SCHEMBL1743129 0.74 ACVR1 (0.41) HRH3HDAC4
SCHEMBL1744208 0.73 HRH3 (0.39) HRH3
SCHEMBL1742827 0.73 HRH3 (0.39) HRH3
SCHEMBL1742292 0.73 RET (0.40) GPR119

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 4 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
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 1/4885HDAC4 754/4885KDM4E 1574/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885HDAC4 754/4885KDM4E 1574/4885

“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.