SCHEMBL22629019

SCHEMBL22629019

Cc1noc(C23CC(C(=O)O)(C2)C3)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
CHRM2 P08172 2/20 0.34
FABP4 P15090 9/20 0.33
FABP5 Q01469 9/20 0.33
NR1H4 Q96RI1 1/20 0.33
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MGLL Q99685 1/20 0.32
KDM1A O60341 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL22629017 0.85 KDM1A (0.43) HSD11B1CHRM2FABP4FABP5NR1H4
SCHEMBL22347897 0.75 HSD11B1 (0.43) HSD11B1CHRM2NR1H4KDM1ASLC6A2
SCHEMBL22347720 0.72 NR1H4 (0.42) HSD11B1CHRM2FABP4FABP5NR1H4
Oxalic Acid SCHEMBL9050722 0.70 CHRM2 (0.42) HSD11B1CHRM2NR1H4CHRM4CHRM5
SCHEMBL22629101 0.68 HTT (0.44) HSD11B1CHRM2SLC6A2SLC6A4SLC6A3
Oxalic Acid SCHEMBL8790622 0.68 HSD11B1 (0.41) HSD11B1CHRM2FABP4FABP5CHRM4
SCHEMBL22629097 0.67 HSD11B1 (0.44) HSD11B1CHRM2NR1H4SLC6A2SLC6A4
SCHEMBL22395041 0.67 CHRM2 (0.33) HSD11B1CHRM2FABP4FABP5CHRM4
Oxalic Acid SCHEMBL9051385 0.66 HSD11B1 (0.39) HSD11B1CHRM2CHRM4CHRM5CHRM1
SCHEMBL14942714 0.66 CHRM2 (0.39) HSD11B1CHRM2SLC6A2SLC6A4SLC6A3

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 HSD11B1 340/4885CHRM2 1494/4885FABP4 3998/4885

“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.