SCHEMBL4395584

SCHEMBL4395584

NCCN1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.66
EPHX2 P34913 1/20 0.59
RBP4 P02753 1/20 0.53
GAA P10253 2/20 0.52
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL1375425 0.81 EPHX2 (0.68) HSD11B1EPHX2RBP4GAAMAPT
SCHEMBL4395581 0.80 HSD11B1 (0.62) HSD11B1EPHX2RBP4GAANPC1
SCHEMBL11153275 0.80 HTR1A (0.55)
SCHEMBL22668886 0.79 EPHX2 (0.73) HSD11B1EPHX2RBP4GAAMAPT
SCHEMBL4402731 0.78 DRD4 (0.54) HSD11B1
SCHEMBL16689587 0.78 HSD11B1 (0.62) HSD11B1EPHX2MAPTTSHR
SCHEMBL1375423 0.78 EPHX2 (0.68) HSD11B1EPHX2RBP4GAAMAPT
Hydrochloric Acid SCHEMBL1375801 0.77 HSD11B1 (0.65) HSD11B1EPHX2RBP4GAA
SCHEMBL22669112 0.77 EPHX2 (0.71) HSD11B1EPHX2RBP4GAAMAPT
SCHEMBL16689555 0.77 HSD11B1 (0.61) HSD11B1EPHX2GAA

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
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 HSD11B1 417/4885EPHX2 2685/4885RBP4 2739/4885

“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.