SCHEMBL3549937

SCHEMBL3549937

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
OPRD1 P41143 1/20 0.38
PDE4B Q07343 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDO2 P48775 1/20 0.36
LMNA P02545 1/20 0.35

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) RAB9AALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL3540340 0.86 SMN1; SMN2 (0.54) RAB9AALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL3548946 0.86 HPGD (0.50) RAB9AALDH1A1SMN1; SMN2NPC1MAPK1
SCHEMBL3548357 0.84 HPGD (0.49) RAB9AALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL3552361 0.82 HPGD (0.43) RAB9AALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL8110353 0.79 MEN1 (0.47) RAB9AALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL11384351 0.78 ALDH1A1 (0.48) RAB9AALDH1A1SMN1; SMN2NPC1MAPK1
SCHEMBL3180927 0.77 BCL2L1 (0.44) RAB9AALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL14052375 0.77 RECQL (0.44) RECQLRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL5774708 0.75 SLC6A3 (0.51) RAB9AALDH1A1SMN1; SMN2NPC1KDM4E

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 RECQL 700/4885RAB9A 2914/4885ALDH1A1 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.