SCHEMBL3552653

SCHEMBL3552653

CCN(CC)C(=O)C1CCCN(C(=O)c2cnoc2-c2ccc(C)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
NAMPT P43490 1/20 0.44
JAK1 P23458 1/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL3545704 0.85 HPGD (0.66) HPGDSMN1; SMN2NPC1TP53RAB9A
SCHEMBL3555313 0.81 HCRTR1 (0.49) HPGDSMN1; SMN2NPC1TP53RAB9A
SCHEMBL3175251 0.80 HCRTR1 (0.44) HPGDSMN1; SMN2NPC1TP53RAB9A
SCHEMBL3546990 0.79 HCRTR1 (0.53) HPGDSMN1; SMN2NPC1TP53RAB9A
SCHEMBL13502042 0.79 HCRTR1 (0.47) HPGDSMN1; SMN2NPC1TP53RAB9A
SCHEMBL3186687 0.79 ALDH1A1 (0.54) HPGDSMN1; SMN2NPC1TP53RAB9A
SCHEMBL3541789 0.78 CRHBP (0.49) HPGDSMN1; SMN2RAB9AHCRTR1HCRTR2
SCHEMBL3175324 0.78 HCRTR2 (0.46) HPGDSMN1; SMN2NPC1TP53RAB9A
SCHEMBL3181045 0.78 HCRTR2 (0.46) HPGDSMN1; SMN2NPC1TP53RAB9A
SCHEMBL3181421 0.78 HCRTR2 (0.46) HPGDSMN1; SMN2NPC1TP53RAB9A

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 7 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
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.