SCHEMBL22470192

SCHEMBL22470192

COC(=O)C1CCN(CCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.52
CACNA1H O95180 1/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.44
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL32690155 0.92 DRD2 (0.47) DRD2CACNA1HMEN1ALDH1A1TSHR
SCHEMBL22703621 0.92 DRD2 (0.54) DRD2CACNA1HMEN1ALDH1A1TSHR
SCHEMBL31452925 0.88 MEN1 (0.66) DRD2CACNA1HMEN1ALDH1A1TSHR
SCHEMBL24811481 0.87 CACNA1H (0.52) DRD2CACNA1HMEN1ALDH1A1TSHR
SCHEMBL14708214 0.84 CACNA1H (0.52) DRD2CACNA1HMEN1ALDH1A1TSHR
SCHEMBL24951961 0.84 DRD2 (0.53) DRD2CACNA1HJAK2JAK1EPHX1
SCHEMBL16480069 0.84 CACNA1H (0.54) DRD2CACNA1HJAK2JAK1EPHX1
SCHEMBL9281583 0.84 SMN1; SMN2 (0.50) MEN1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL31301242 0.83 DRD2 (0.63) DRD2CACNA1HMEN1ALDH1A1KMT2A
SCHEMBL14614740 0.83 CACNA1H (0.53) DRD2CACNA1HJAK2JAK1EPHX1

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
CN-117886814-A PD-1/PD-L1 small molecule inhibitor and application thereof in medicines 广东东阳光药业股份有限公司 2024-04-16 CN disclosed
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-19 US disclosed
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-19 US disclosed
EP-3941900-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 Deutsches Krebsforschungszentrum (DE) 2022-01-26 EP disclosed
WO-2020193431-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2020-10-01 WO disclosed
WO-2020193431-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2020-10-01 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 (1 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-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 HDAC10, HDAC1, HDAC11 DRD2 4710/4885CACNA1H 3750/4885MEN1 2974/4885

“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.