SCHEMBL19083300

SCHEMBL19083300

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.53
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NAMPT P43490 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
PIK3CD O00329 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
PDE4B Q07343 2/20 0.38
RORC P51449 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL13098438 1.00 NR1H2 (0.53) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL9972997 1.00 NR1H2 (0.53) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL14303506 0.91 NR1H2 (0.57) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL13940144 0.88 NR1H2 (0.49) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL3188002 0.88 NR1H2 (0.49) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL10305448 0.88 NR1H2 (0.59) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL500787 0.88 NR1H2 (0.59) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL19122974 0.88 NR1H2 (0.51) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL4736582 0.88 NR1H2 (0.59) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL6505486 0.88 NR1H2 (0.59) NR1H2USP2SMN1; SMN2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-08-03 US disclosed
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 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 (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-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER SDHA, SDHB, NQO1 NR1H2 680/4885USP2 3720/4885SMN1; SMN2 2461/4885
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 NR1H2 703/4885USP2 830/4885SMN1; SMN2 4269/4885

“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.