SCHEMBL4936071

SCHEMBL4936071

FC(F)(F)c1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ABL1 P00519 1/20 0.51
LMNA P02545 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
CYP3A4 P08684 2/20 0.47
DPP4 P27487 2/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
CXCR3 P49682 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
DGAT1 O75907 2/20 0.44
HTR7 P34969 1/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3967944 0.87 KDM4E (0.58) KDM4EABL1LMNAHRH3CYP3A4
SCHEMBL4722770 0.86 KDM4E (0.50) KDM4EABL1LMNAHRH3CYP3A4
SCHEMBL27728031 0.85 KDM4E (0.56) KDM4EABL1LMNAHRH3CYP3A4
Hydrochloric Acid SCHEMBL27620712 0.85 HRH3 (0.61) KDM4EABL1LMNAHRH3CYP3A4
SCHEMBL5210771 0.81 HRH3 (0.55) KDM4EABL1LMNAHRH3CYP3A4
SCHEMBL4147059 0.81 HRH3 (0.45) HRH3DGAT1
SCHEMBL25275301 0.81 KDM4E (0.50) KDM4EABL1LMNAHRH3CYP3A4
SCHEMBL25646912 0.81 KDM4E (0.47) KDM4EABL1LMNAHRH3CYP3A4
SCHEMBL30408594 0.81 KDM4E (0.50) KDM4EABL1LMNAHRH3CYP3A4
SCHEMBL4122718 0.81 HRH3 (0.42) HRH3CXCR3ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US 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 (1 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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 KDM4E 1025/4885ABL1 3184/4885LMNA 4595/4885

“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.