SCHEMBL3540340

SCHEMBL3540340

CCN(CC)C(=O)c1cnoc1-c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
ALDH1A1 P00352 3/20 0.54
TP53 P04637 2/20 0.54
MAPK1 P28482 1/20 0.54
USP2 O75604 1/20 0.43
PPARA Q07869 1/20 0.39
HPGD P15428 3/20 0.38
MAPT P10636 1/20 0.38
FPR2 P25090 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
TSPO P30536 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
LMNA P02545 4/20 0.36
GUSB P08236 1/20 0.36
GFER P55789 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3549544 0.87 ALDH1A1 (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL3549937 0.86 RECQL (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL3548946 0.86 HPGD (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1MAPK1
SCHEMBL3548357 0.84 HPGD (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL3552361 0.82 HPGD (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL343836 0.78 HTT (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1MAPK1
SCHEMBL343121 0.77 PTPN1 (0.46) ALDH1A1PPARAFPR2KDM4E
SCHEMBL17468485 0.75 MAPT (0.51) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL3549209 0.75 LMNA (0.47) ALDH1A1MAPK1USP2HPGDMAPT
SCHEMBL9393482 0.74 LMNA (0.43) SMN1; SMN2RAB9ANPC1ALDH1A1TP53

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 SMN1; SMN2 3710/4885RAB9A 2914/4885NPC1 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.