SCHEMBL13675512

SCHEMBL13675512

CCC1CCC(N2CCC(Cc3ccc(-c4cccc(C(C)=O)c4)cc3Cl)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
HSD11B1 P28845 1/20 0.35
PDE4D Q08499 2/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
TDP2 O95551 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN9A Q15858 1/20 0.33
MCHR1 Q99705 1/20 0.32
ROCK2 O75116 1/20 0.32
DRD3 P35462 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL13674536 0.86 HRH3 (0.39) HRH3HSD11B1PARP10PARP11TDP2
SCHEMBL5543774 0.86 HRH3 (0.39) HRH3HSD11B1PARP10PARP11TDP2
SCHEMBL2999252 0.81 HSD11B1 (0.50) HSD11B1PDE4DKMT2A
SCHEMBL13266359 0.80 HSD11B1 (0.44) HSD11B1PDE4DKMT2AMCHR1
SCHEMBL2987108 0.80 HSD11B1 (0.46) HSD11B1ROCK2
SCHEMBL2987113 0.80 HSD11B1 (0.46) HSD11B1ROCK2
SCHEMBL4505542 0.79 MAP3K14 (0.39) HSD11B1TDP2
SCHEMBL13674538 0.79 MAP3K14 (0.39) HSD11B1TDP2
SCHEMBL13675572 0.79 KMT2A (0.35) HRH3HSD11B1KMT2ASCN9AROCK2
SCHEMBL4508921 0.79 HSD11B1 (0.42) HSD11B1ROCK2

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 HRH3 3961/4885HSD11B1 1/4885PDE4D 1620/4885

“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.