SCHEMBL21452278

SCHEMBL21452278

CCOC(=O)c1nnc([C@@H]2CCCN2)s1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 1/20 0.38
ALDH1A1 P00352 7/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.34
GAA P10253 4/20 0.34
HSD17B10 Q99714 3/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 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
SCHEMBL20305362 0.79 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2GAAHSD17B10
SCHEMBL31706753 0.78 ALDH1A1 (0.44) BAZ2AALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL12215949 0.75 SMN1; SMN2 (0.52) BAZ2AALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL8219214 0.75 SMN1; SMN2 (0.52) BAZ2AALDH1A1SMN1; SMN2GAAKDM4E
Bromide SCHEMBL29391160 0.74 SMN1; SMN2 (0.51) BAZ2AALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL17069032 0.73 CHRM2 (0.40) CYP1A2CYP2C9CYP2C19
SCHEMBL19734504 0.72 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2GAAHSD17B10
SCHEMBL16409263 0.72 SMN1; SMN2 (0.54) BAZ2AALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL4315953 0.71 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2GAAHSD17B10
SCHEMBL17374333 0.70 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119411-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2022-04-21 US disclosed
US-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 US disclosed
WO-2019192506-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2019-10-10 WO 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 (2 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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP BAZ2A 3951/4885ALDH1A1 658/4885HPGD 211/4885
US-20220119411-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP BAZ2A 3951/4885ALDH1A1 658/4885HPGD 211/4885

“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.