SCHEMBL20455752

SCHEMBL20455752

FC(F)(F)c1ccc(N2CCC3(CNC3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.49
CYP2D6 P10635 7/20 0.49
USP2 O75604 6/20 0.49
CYP1A2 P05177 4/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP2C19 P33261 4/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 2/20 0.48
MAPK1 P28482 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 6/20 0.43
HIF1A Q16665 3/20 0.43
CYP2C9 P11712 4/20 0.41
EIF2AK4 Q9P2K8 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAOB P27338 1/20 0.39
AKR1C3 P42330 1/20 0.38

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
SCHEMBL485117 0.83 CYP2D6 (0.51) CYP3A4CYP2D6USP2CYP1A2ALDH1A1
SCHEMBL16730388 0.81 CYP3A4 (0.43) CYP3A4CYP2D6USP2CYP1A2CYP2C19
SCHEMBL24227415 0.81 USP2 (0.46) CYP3A4CYP2D6USP2CYP1A2ALDH1A1
SCHEMBL31276695 0.80 CYP2D6 (0.54) CYP3A4CYP2D6USP2CYP1A2ALDH1A1
SCHEMBL13050665 0.79 CYP2D6 (0.63) CYP3A4CYP2D6USP2CYP1A2ALDH1A1
SCHEMBL38664534 0.79 CYP3A4 (0.60) CYP3A4CYP2D6USP2CYP1A2ALDH1A1
SCHEMBL20791428 0.78 CYP3A4 (0.73) CYP3A4CYP2D6USP2CYP1A2ALDH1A1
SCHEMBL22914774 0.75 KCNH2 (0.54) CYP3A4CYP2D6USP2CYP1A2ALDH1A1
SCHEMBL14996492 0.75 CYP3A4 (0.44) CYP3A4CYP2D6USP2CYP1A2CYP2C19
SCHEMBL4617 0.75 CYP3A4 (0.42) CYP3A4CYP2D6USP2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048267-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 US disclosed
WO-2018141984-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2018-08-09 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 (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-20200048267-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN CYP3A4 4278/4885CYP2D6 4092/4885USP2 705/4885

“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.