SCHEMBL3549544

SCHEMBL3549544

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 5/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL3549937 0.87 RECQL (0.45) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL3540340 0.87 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL3548946 0.87 HPGD (0.50) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL3549209 0.87 LMNA (0.47) ALDH1A1MAPK1HPGDLMNATSHR
SCHEMBL3548357 0.85 HPGD (0.49) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL3552470 0.83 TSHR (0.47) ALDH1A1MAPK1HPGDLMNATSHR
SCHEMBL3552361 0.83 HPGD (0.43) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL3546271 0.83 CNR1 (0.38) ALDH1A1NPC1RAB9ATP53TSHR
SCHEMBL3173623 0.79 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5773388 0.78 TARBP2 (0.48) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A

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 ALDH1A1 86/4885SMN1; SMN2 3710/4885MAPK1 670/4885

“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.