SCHEMBL3265507

SCHEMBL3265507

CC1CN(C(=O)c2ccc(OC3CCC(C(=O)O)C3)cc2)CCC(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
GRM3 Q14832 1/20 0.41
SRD5A2 P31213 1/20 0.41
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.38
POLB P06746 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HPGD P15428 2/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
LMNA P02545 2/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL13079622 0.94 GAA (0.47) GAAGRM3SRD5A2KMT2AALDH1A1
SCHEMBL12115793 0.87 HTT (0.44) SRD5A2KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL12115285 0.85 KMT2A (0.44) SRD5A2KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL13079623 0.84 POLB (0.56) KMT2AALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL12115550 0.82 KMT2A (0.41) GRM3SRD5A2KMT2AALDH1A1SMN1; SMN2
SCHEMBL12169333 0.77 NOTUM (0.49) GAAGRM3MAPTITGB3ITGA2B
SCHEMBL237663 0.77 GAA (0.47) GAAGRM3SRD5A2KMT2AALDH1A1
SCHEMBL162185 0.74 CA12 (0.45) GAAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL17190316 0.72 GAA (0.54) GAAGRM3KMT2AALDH1A1SMN1; SMN2
SCHEMBL240435 0.72 ALDH1A1 (0.65) GAAKMT2AALDH1A1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004209-A1 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Active Compounds HIGH POINT PHARMACEUTICALS, LLC (US) 2012-01-05 US disclosed
US-8053447-B2 11β-hydroxysteroid dehydrogenase type 1 active compounds HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
US-20100292215-A1 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-18 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 (2 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-20120004209-A1 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Active Compounds HSD11B1, HSD3B1, HSD11B2 GAA 315/4885GRM3 2332/4885SRD5A2 19/4885
US-20100292215-A1 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HSD11B1, HSD3B1, HSD17B1 GAA 300/4885GRM3 2144/4885SRD5A2 21/4885

“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.