SCHEMBL3967944

SCHEMBL3967944

FC(F)(F)c1ccc(N2CCN(C3CCCC3)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ABL1 P00519 1/20 0.58
LMNA P02545 1/20 0.58
HRH3 Q9Y5N1 1/20 0.56
CYP3A4 P08684 2/20 0.53
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.51
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
DPP4 P27487 2/20 0.50
POLB P06746 1/20 0.50
GPR119 Q8TDV5 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
DPP8 Q6V1X1 1/20 0.49
DPP7 Q9UHL4 1/20 0.49

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
SCHEMBL27728031 0.99 KDM4E (0.56) KDM4EABL1LMNAHRH3CYP3A4
Hydrochloric Acid SCHEMBL27620712 0.93 HRH3 (0.61) KDM4EABL1LMNAHRH3CYP3A4
SCHEMBL1744575 0.90 DGAT1 (0.52) KDM4EABL1LMNAHRH3CYP3A4
SCHEMBL4936071 0.87 KDM4E (0.51) KDM4EABL1LMNAHRH3CYP3A4
SCHEMBL5210771 0.86 HRH3 (0.55) KDM4EABL1LMNAHRH3CYP3A4
Hydrochloric Acid SCHEMBL5210894 0.85 HRH3 (0.54) KDM4EABL1LMNAHRH3CYP3A4
SCHEMBL13648868 0.85 HRH3 (0.56) KDM4EABL1LMNAHRH3CYP3A4
SCHEMBL3773673 0.84 SMN1; SMN2 (0.54) KDM4EABL1LMNAHRH3MAPT
Hydrochloric Acid SCHEMBL3976876 0.83 HRH3 (0.55) KDM4EABL1LMNAHRH3CYP3A4
SCHEMBL3777238 0.83 SMN1; SMN2 (0.53) KDM4EABL1LMNAHRH3MAPT

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 KDM4E 1574/4885ABL1 382/4885LMNA 4775/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 KDM4E 1574/4885ABL1 382/4885LMNA 4775/4885

“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.