SCHEMBL3972995

SCHEMBL3972995

FC(F)(F)c1cccc(N2CCN(C3CCCC3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.55
KDM2B Q8NHM5 1/20 0.45
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
GRIN2B Q13224 2/20 0.44
CXCR3 P49682 1/20 0.43
PHGDH O43175 2/20 0.43
HTR1A P08908 1/20 0.43
OPRM1 P35372 1/20 0.42

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
SCHEMBL3859907 0.82 HRH3 (0.51) HRH3
SCHEMBL3767559 0.82 IRAK4 (0.49) HRH3DRD2DRD3HTR1AOPRM1
SCHEMBL15918310 0.81 GRIN2B (0.49) HRH3DRD2DRD3GRIN2BCXCR3
SCHEMBL17667869 0.81 GRIN2B (0.49) HRH3DRD2DRD3GRIN2BCXCR3
SCHEMBL30582911 0.80 HRH3 (0.52) HRH3ALOX15DRD2DRD3GRIN2B
SCHEMBL22668979 0.80 GRIN2B (0.48) HRH3ALOX15DRD2DRD3GRIN2B
SCHEMBL4603963 0.78 HRH3 (0.50) HRH3ALOX15DRD2DRD3GRIN2B
SCHEMBL1351805 0.78 HTR3E (0.60) HRH3ALOX15DRD2DRD3GRIN2B
SCHEMBL18427064 0.77 BPTF (0.46) HRH3DRD2DRD3GRIN2BPHGDH
Hydrochloric Acid SCHEMBL5220893 0.77 HTR3E (0.59) HRH3ALOX15DRD2DRD3GRIN2B

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 1/4885KDM2B 1203/4885GAA 2437/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885KDM2B 1203/4885GAA 2437/4885

“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.