SCHEMBL22629316

SCHEMBL22629316

CC(C)(C)OC(=O)N(CC1(C(=O)O)CC1)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAOB P27338 1/20 0.38
MAOA P21397 1/20 0.38
RORC P51449 1/20 0.37
HSD11B1 P28845 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
ABCB1 P08183 1/20 0.34
DRD2 P14416 2/20 0.33
OPRM1 P35372 2/20 0.33
DRD3 P35462 2/20 0.33
EZH2 Q15910 1/20 0.33
CPB2 Q96IY4 1/20 0.33
TACR1 P25103 1/20 0.33
GPR88 Q9GZN0 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
SCHEMBL22629455 0.88 KDM1A (0.40) KDM1AHDAC8HDAC6MAOBMAOA
SCHEMBL22629304 0.87 KDM1A (0.45) KDM1AHDAC8HDAC6MAOBMAOA
SCHEMBL22629375 0.87 KDM1A (0.45) KDM1AHDAC8HDAC6MAOBMAOA
SCHEMBL22629277 0.87 KDM1A (0.45) KDM1AHDAC8HDAC6MAOBMAOA
SCHEMBL21635960 0.87 KDM1A (0.45) KDM1AHDAC8HDAC6MAOBMAOA
SCHEMBL22629154 0.87 KDM1A (0.45) KDM1AHDAC8HDAC6MAOBMAOA
SCHEMBL22629608 0.87 KDM1A (0.41) KDM1AHDAC8HDAC6MAOBMAOA
SCHEMBL22630414 0.86 KDM1A (0.45) KDM1AHDAC8HDAC6MAOBMAOA
SCHEMBL22629208 0.84 KDM1A (0.43) KDM1AHDAC8HDAC6MAOBMAOA
SCHEMBL22629108 0.84 KDM1A (0.46) KDM1AHDAC8HDAC6MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 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 (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-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A KDM1A 2/4885HDAC8 88/4885HDAC6 160/4885

“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.