SCHEMBL3553880

SCHEMBL3553880

CCOC(=O)C1CCN(C(=O)c2ncoc2-c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
NPC1 O15118 3/20 0.56
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 1/20 0.53
TSHR P16473 2/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 2/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 2/20 0.51
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL14359593 0.78 HCRTR1 (0.57) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL6973124 0.76 GAA (0.73) KDM4ENPC1ALDH1A1HSD17B10TSHR
SCHEMBL5727790 0.75 FBP1 (0.69) KDM4ENPC1ALDH1A1HSD17B10TSHR
SCHEMBL3544581 0.74 KDM4E (1.00) KDM4EALDH1A1TSHRKMT2AMEN1
SCHEMBL14359454 0.74 HCRTR1 (0.64) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL3549843 0.74 SCD5 (0.57) KDM4ENPC1ALDH1A1KMT2AMEN1
SCHEMBL20827295 0.72 TP53 (0.74) KDM4ENPC1ALDH1A1TSHRCYP2C19
SCHEMBL18255042 0.71 NPC1 (0.65) KDM4ENPC1ALDH1A1HSD17B10TSHR
SCHEMBL8410149 0.71 ALDH1A1 (0.69) KDM4ENPC1ALDH1A1HSD17B10TSHR
SCHEMBL14359633 0.71 HCRTR1 (0.52) KDM4ENPC1ALDH1A1TSHRKMT2A

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 KDM4E 702/4885NPC1 1594/4885ALDH1A1 86/4885

“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.