SCHEMBL20586014

SCHEMBL20586014

Cc1nc(C2[C@H]3CN(C(=O)O)C[C@@H]23)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
ECE1 P42892 3/20 0.36
HPGD P15428 1/20 0.36
TACR3 P29371 3/20 0.35
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAP3K12 Q12852 1/20 0.33

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
SCHEMBL20586012 1.00 RAB9A (0.38) RAB9ANPC1ALDH1A1PKMKDM4E
SCHEMBL20587746 1.00 RAB9A (0.38) RAB9ANPC1ALDH1A1PKMKDM4E
SCHEMBL20586011 1.00 RAB9A (0.38) RAB9ANPC1ALDH1A1PKMKDM4E
SCHEMBL29638840 0.81 KDM4E (0.43) KDM4EHTT
SCHEMBL21137404 0.81 KDM4E (0.43) KDM4EHTT
SCHEMBL22961287 0.73 ALDH1A1 (0.45) ALDH1A1PKMKDM4EGAAHTT
SCHEMBL21137403 0.73 ALDH1A1 (0.45) ALDH1A1PKMKDM4EGAAHTT
SCHEMBL16211689 0.72 MAP3K12 (0.34) MAP3K12
Trifluoroacetic Acid SCHEMBL20584909 0.71 SSTR4 (0.38) RAB9ANPC1KDM4EPOLBGAA
Trifluoroacetic Acid SCHEMBL29638837 0.71 SSTR4 (0.38) RAB9ANPC1KDM4EPOLBGAA

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 6 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
US-20180362507-A1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2018-12-20 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 (6 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 RAB9A 1785/4885NPC1 1586/4885ALDH1A1 1597/4885
US-11352342-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 RAB9A 1785/4885NPC1 1586/4885ALDH1A1 1597/4885
US-10329278-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 RAB9A 1787/4885NPC1 1751/4885ALDH1A1 2039/4885
US-20190276437-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 RAB9A 1785/4885NPC1 1586/4885ALDH1A1 1597/4885
US-20180362507-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 RAB9A 1787/4885NPC1 1751/4885ALDH1A1 2039/4885
US-10752610-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 RAB9A 1785/4885NPC1 1586/4885ALDH1A1 1597/4885

“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.