SCHEMBL21137819

SCHEMBL21137819

CC(O[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.47
RORC P51449 3/20 0.45
GPR119 Q8TDV5 2/20 0.44
NAMPT P43490 1/20 0.43
USP30 Q70CQ3 4/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL29638830 1.00 TACR1 (0.47) TACR1RORCGPR119NAMPTUSP30
SCHEMBL20589200 0.84 S1PR5 (0.40) TACR1
SCHEMBL20588202 0.84 S1PR5 (0.40) TACR1
SCHEMBL20585676 0.84 S1PR5 (0.40) TACR1
SCHEMBL20585678 0.84 S1PR5 (0.40) TACR1
SCHEMBL20585675 0.84 S1PR5 (0.40) TACR1
SCHEMBL20589198 0.84 S1PR5 (0.40) TACR1
SCHEMBL18428984 0.80 GPR119 (0.56) GPR119USP30ATMNPC1ALDH1A1
SCHEMBL23830783 0.79 USP30 (0.48) RORCGPR119NAMPTUSP30ATM
SCHEMBL20116389 0.77 RECQL (0.50) RORCGPR119NAMPTUSP30ATM

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 TACR1 54/4885RORC 609/4885GPR119 107/4885
US-11352342-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 TACR1 54/4885RORC 609/4885GPR119 107/4885
US-10329278-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 TACR1 49/4885RORC 570/4885GPR119 102/4885
US-20190276437-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 TACR1 54/4885RORC 609/4885GPR119 107/4885
US-10752610-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 TACR1 54/4885RORC 609/4885GPR119 107/4885

“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.