SCHEMBL3545704

SCHEMBL3545704

CCOC(=O)C1CCCN(C(=O)c2cnoc2-c2ccc(C)cc2)C1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
TP53 P04637 1/20 0.66
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 2/20 0.60
GAA P10253 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MAPK1 P28482 1/20 0.60
TSHR P16473 4/20 0.56
HSD17B10 Q99714 2/20 0.56
POLB P06746 3/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.52
ESR2 Q92731 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52

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
SCHEMBL3552653 0.85 HPGD (0.48) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL3555313 0.82 HCRTR1 (0.49) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL3175251 0.80 HCRTR1 (0.44) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL13502042 0.80 HCRTR1 (0.47) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL3186687 0.79 ALDH1A1 (0.54) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL3541789 0.79 CRHBP (0.49) HPGDSMN1; SMN2RAB9AALDH1A1TSHR
SCHEMBL3181045 0.79 HCRTR2 (0.46) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL3181421 0.79 HCRTR2 (0.46) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL3175324 0.79 HCRTR2 (0.46) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL3554777 0.78 HCRTR1 (0.52) SMN1; SMN2NPC1RAB9ATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 HPGD 165/4885SMN1; SMN2 3710/4885NPC1 1594/4885

“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.