SCHEMBL22629017

SCHEMBL22629017

Cc1noc(C23CCC(C(=O)O)(CC2)CC3)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
HSD11B1 P28845 1/20 0.43
NR1H4 Q96RI1 2/20 0.37
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
CHRM2 P08172 2/20 0.33
FABP4 P15090 8/20 0.33
FABP5 Q01469 8/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
IDH1 O75874 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL22347897 0.87 HSD11B1 (0.43) KDM1AHSD11B1NR1H4CHRM2SLC6A2
SCHEMBL22629019 0.85 HSD11B1 (0.35) KDM1AHSD11B1NR1H4CHRM2FABP4
SCHEMBL22347720 0.84 NR1H4 (0.42) KDM1AHSD11B1NR1H4CHRM2FABP4
SCHEMBL22628919 0.79 HSD11B1 (0.47) HSD11B1NR1H4CHRM2SLC6A2SLC6A4
SCHEMBL22347606 0.75 HSD11B1 (0.44) HSD11B1NR1H4CHRM2ADORA2AADORA1
SCHEMBL22348493 0.75 HSD11B1 (0.44) HSD11B1NR1H4CHRM2ADORA2AADORA1
SCHEMBL12251752 0.74 HSD11B1 (0.50) KDM1AHSD11B1NR1H4CHRM2CHRM4
SCHEMBL22347953 0.73 HSD11B1 (0.43) HSD11B1NR1H4CHRM2SLC6A2SLC6A4
SCHEMBL22629097 0.73 HSD11B1 (0.44) HSD11B1NR1H4CHRM2SLC6A2SLC6A4
SCHEMBL22629751 0.73 KDM1A (0.56) KDM1ANR1H4DGAT1SOAT1ADORA2A

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 2/4885HSD11B1 340/4885NR1H4 2006/4885

“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.