SCHEMBL13054579

SCHEMBL13054579

CN1C(=N)N[C@](C)(c2cccc(C3(C#N)CC3)c2)[C@H](c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HSD11B1 P28845 3/20 0.33
ELANE P08246 3/20 0.32
ESR1 P03372 1/20 0.32
BDKRB1 P46663 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP3A4 P08684 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7562344 1.00 FPR2 (0.34) FPR2KMT2AMEN1HSD11B1ELANE
SCHEMBL7561306 0.94 HSD11B1 (0.33) KMT2AHSD11B1KDM4E
SCHEMBL13055017 0.94 HSD11B1 (0.33) KMT2AHSD11B1KDM4E
SCHEMBL7583861 0.89 KMT2A (0.32) KMT2AHSD11B1BDKRB1
SCHEMBL14105755 0.86 MEN1 (0.35) KMT2AMEN1HSD11B1ESR1OPRM1
SCHEMBL13054625 0.86 ELANE (0.37) ELANEKDM4ECYP2C9CYP3A4HTT
SCHEMBL7576890 0.86 ELANE (0.37) ELANEKDM4ECYP2C9CYP3A4HTT
SCHEMBL7565175 0.85 AR (0.38) KMT2AMEN1ELANEESR1KDM4E
SCHEMBL13054495 0.85 AR (0.38) KMT2AMEN1ELANEESR1KDM4E
SCHEMBL13054359 0.85 ALDH1A1 (0.40) KMT2ABDKRB1ALDH1A1

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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 FPR2 3908/4885KMT2A 4458/4885MEN1 1192/4885

“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.