SCHEMBL13054014

SCHEMBL13054014

CN1C(=N)N[C@](C)(c2cc(F)cc(F)c2)[C@H](c2ccc(C3(C#N)CC3)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 7/20 0.35
ADRA1D P25100 6/20 0.35
ADRA1B P35368 6/20 0.35
HRH1 P35367 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ALDH1A1 P00352 2/20 0.32
OPRM1 P35372 3/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL13558701 1.00 ADRA1A (0.35) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7572187 1.00 ADRA1A (0.35) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL13054359 0.91 ALDH1A1 (0.40) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7548572 0.91 ALDH1A1 (0.40) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7546818 0.89 ADRA1A (0.40) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL13054243 0.89 ADRA1A (0.40) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7552485 0.87 ALDH1A1 (0.35) ALDH1A1OPRM1CYP2D6
SCHEMBL13055040 0.87 ALDH1A1 (0.35) ALDH1A1OPRM1CYP2D6
SCHEMBL13055245 0.87 ADRA1A (0.38) ADRA1AADRA1DADRA1BHRH1ADRA2A
SCHEMBL7570231 0.87 ADRA1A (0.38) ADRA1AADRA1DADRA1BHRH1ADRA2A

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 ADRA1A 2811/4885ADRA1D 1104/4885ADRA1B 2700/4885

“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.