SCHEMBL13620044

SCHEMBL13620044

N[C@H]1CC[C@H](CNc2ncc3[nH]c(=O)n(Cc4cc(Br)ccc4OC(F)(F)F)c3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.46
ADRA2A P08913 11/20 0.46
NPY5R Q15761 10/20 0.46
PRKCQ Q04759 2/20 0.38
DDR1 Q08345 3/20 0.37
DPP4 P27487 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
USP1 O94782 1/20 0.34

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
SCHEMBL13620032 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RPRKCQDDR1
SCHEMBL13620188 0.94 MCHR1 (0.46) MCHR1ADRA2ANPY5RPRKCQDDR1
SCHEMBL13620258 0.93 MCHR1 (0.46) MCHR1ADRA2ANPY5RPRKCQDDR1
SCHEMBL13620269 0.93 MCHR1 (0.46) MCHR1ADRA2ANPY5RPRKCQDDR1
SCHEMBL13620375 0.93 MCHR1 (0.46) MCHR1ADRA2ANPY5RPRKCQDDR1
SCHEMBL13620497 0.92 MCHR1 (0.45) MCHR1ADRA2ANPY5RPRKCQDDR1
SCHEMBL13620209 0.91 DDR1 (0.44) MCHR1ADRA2ANPY5RPRKCQDDR1
SCHEMBL13620261 0.91 DDR1 (0.44) MCHR1ADRA2ANPY5RPRKCQDDR1
SCHEMBL13620385 0.90 MCHR1 (0.44) MCHR1ADRA2ANPY5RPRKCQDDR1
SCHEMBL13620046 0.90 MCHR1 (0.44) MCHR1ADRA2ANPY5RPRKCQDDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ MCHR1 3804/4885ADRA2A 461/4885NPY5R 3514/4885

“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.