SCHEMBL4557054

SCHEMBL4557054

CN1C(=N)N[C@](C)(c2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
AR P10275 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NOTUM Q6P988 3/20 0.38
HTR7 P34969 2/20 0.38
CYP11B2 P19099 1/20 0.38
CYP1A2 P05177 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
HTT P42858 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL8433374 0.86 CYP1A2 (0.38) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL4549150 0.85 GRM5 (0.32)
SCHEMBL2959900 0.85 MTOR (0.32)
SCHEMBL7562202 0.85 ALDH1A1 (0.36) MEN1KMT2A
SCHEMBL2959902 0.85 MTOR (0.32)
SCHEMBL7556413 0.85 MTOR (0.37) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL2959783 0.83 MGLL (0.34) EPHX2
SCHEMBL4549146 0.83 LMNA (0.33)
SCHEMBL7574379 0.83 BACE1 (0.41) NOTUM
SCHEMBL2959787 0.83 MGLL (0.34) EPHX2

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-20120232064-A1 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2012-09-13 US disclosed
US-8168641-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-01 US disclosed
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2007-12-13 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 (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-20120232064-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 EPHX2 2885/4885AR 3618/4885MEN1 730/4885
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 EPHX2 2885/4885AR 3618/4885MEN1 730/4885

“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.