SCHEMBL21137324

SCHEMBL21137324

Cn1ccc([C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.50
FAAH O00519 8/20 0.44
CNR1 P21554 1/20 0.41
JAK3 P52333 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
USP30 Q70CQ3 1/20 0.40
SSTR4 P31391 1/20 0.39
NR1H2 P55055 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL29638842 1.00 MGLL (0.50) MGLLFAAHCNR1JAK3GPR119
SCHEMBL20585938 0.80 MGLL (0.44) MGLLFAAHCNR1
SCHEMBL20585941 0.80 MGLL (0.44) MGLLFAAHCNR1
SCHEMBL20585945 0.80 MGLL (0.44) MGLLFAAHCNR1
SCHEMBL29570144 0.80 MGLL (0.71) MGLLFAAHCNR1
SCHEMBL18418143 0.80 MGLL (0.71) MGLLFAAHCNR1
SCHEMBL25731561 0.80 MGLL (0.54) MGLLGPR119USP30
SCHEMBL25731609 0.79 GPR119 (0.50) MGLLGPR119NAMPT
SCHEMBL25731598 0.79 MGLL (0.53) MGLLGPR119USP30
SCHEMBL18418170 0.77 JAK3 (0.43) JAK3GPR119SSTR4NR1H2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352342-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2022-06-07 US disclosed
US-20210040067-A1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2021-02-11 US disclosed
US-10752610-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2020-08-25 US disclosed
US-20190276437-A1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2019-09-12 US disclosed
US-10329278-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2019-06-25 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 (5 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-20210040067-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 MGLL 1924/4885FAAH 1960/4885CNR1 25/4885
US-11352342-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 MGLL 1924/4885FAAH 1960/4885CNR1 25/4885
US-10329278-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 MGLL 1949/4885FAAH 2054/4885CNR1 32/4885
US-20190276437-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 MGLL 1924/4885FAAH 1960/4885CNR1 25/4885
US-10752610-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 MGLL 1924/4885FAAH 1960/4885CNR1 25/4885

“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.