SCHEMBL12753333

SCHEMBL12753333

COc1ccc(-c2cccc(C(=O)N3CCC(C)CC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.60
TRPC3 Q13507 1/20 0.54
TRPC6 Q9Y210 1/20 0.54
SCN9A Q15858 4/20 0.53
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL12753370 0.88 HSD11B1 (0.57) HSD11B1TRPC3TRPC6HPGDALDH1A1
SCHEMBL12753346 0.88 HSD11B1 (0.60) HSD11B1SCN9AHPGDALDH1A1KDM4E
SCHEMBL12753347 0.86 HSD11B1 (0.67) HSD11B1SCN9AHPGDALDH1A1KDM4E
SCHEMBL12753329 0.86 HSD11B1 (0.63) HSD11B1TRPC3TRPC6SCN9AHPGD
SCHEMBL12753443 0.86 SCN9A (0.59) HSD11B1SCN9AHPGDALDH1A1KDM4E
SCHEMBL12753656 0.86 HSD11B1 (0.70) HSD11B1SCN9AHPGDALDH1A1KDM4E
SCHEMBL12754306 0.85 HSD11B1 (0.54) HSD11B1SCN9AHPGDALDH1A1KDM4E
SCHEMBL12753324 0.85 HSD11B1 (0.62) HSD11B1SCN9AHPGDALDH1A1KDM4E
SCHEMBL12753327 0.85 HSD11B1 (0.69) HSD11B1TRPC3TRPC6SCN9AHPGD
SCHEMBL12753509 0.85 HSD11B1 (0.56) HSD11B1TRPC3TRPC6SCN9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077395-A1 INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
US-20110077395-A1 INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 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-20110077395-A1 INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I HSD11B1, HSD3B1, HSD17B1 HSD11B1 1/4885TRPC3 4874/4885TRPC6 4876/4885

“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.