SCHEMBL23802498

SCHEMBL23802498

Cn1ccnc1CC1(F)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
GPR119 Q8TDV5 9/20 0.37
FDPS P14324 1/20 0.36
POLB P06746 1/20 0.36
NR1H2 P55055 1/20 0.36
ACHE P22303 1/20 0.35
NAMPT P43490 3/20 0.35
GRIA1 P42261 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
SCHEMBL23802375 0.86 FDPS (0.40) OPRD1OPRK1GPR119FDPSPOLB
SCHEMBL23802374 0.84 OPRD1 (0.37) OPRD1OPRK1GPR119FDPSPOLB
SCHEMBL4979176 0.80 OPRD1 (0.46) OPRD1OPRK1GPR119POLBACHE
SCHEMBL25133689 0.76 GPR119 (0.48) OPRD1OPRK1GPR119POLBNR1H2
SCHEMBL2731871 0.75 GPR119 (0.45) OPRD1OPRK1GPR119POLBACHE
SCHEMBL23801901 0.75 NR1H2 (0.44) GPR119FDPSNR1H2NAMPT
SCHEMBL29021755 0.72 USP2 (0.42) NR1H2
SCHEMBL23791324 0.71 FAAH (0.46) GPR119
SCHEMBL24362612 0.71 RORC (0.46)
SCHEMBL17542155 0.71 NR1H2 (0.44) GPR119NR1H2

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-20210276977-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE ALKERMES, INC. 2021-09-09 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-20210276977-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 OPRD1 4138/4885OPRK1 4117/4885GPR119 1656/4885

“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.