SCHEMBL3176891

SCHEMBL3176891

COC[C@@H]1CCCN1C(=O)c1cnoc1-c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
PLAT P00750 1/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
CNR2 P34972 1/20 0.39
ADORA2A P29274 4/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 3/20 0.39
SLC22A12 Q96S37 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL3166135 1.00 KCNK3 (0.41) KCNK3ROCK2ROCK1PLATHCRTR1
SCHEMBL3175613 1.00 KCNK3 (0.41) KCNK3ROCK2ROCK1PLATHCRTR1
SCHEMBL3175447 0.88 SPHK2 (0.44) HCRTR1CNR2TRPV1
SCHEMBL3165916 0.88 SPHK2 (0.44) HCRTR1CNR2TRPV1
SCHEMBL13501772 0.85 HRH3 (0.48)
SCHEMBL3549466 0.84 SCD5 (0.54) ROCK2HCRTR1HCRTR2
SCHEMBL3166199 0.81 KCNK3 (0.42) KCNK3HCRTR1HCRTR2RAB9ANPC1
SCHEMBL3165821 0.81 KCNK3 (0.42) KCNK3HCRTR1HCRTR2RAB9ANPC1
SCHEMBL3172026 0.81 KCNK3 (0.42) KCNK3HCRTR1HCRTR2RAB9ANPC1
SCHEMBL3546775 0.81 NAMPT (0.50) HCRTR1HCRTR2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231650-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Biovitrum AB (publ) (SE) 2010-09-29 EP claimed
US-20100022590-A1 Novel compounds BIOVITRUM AB (PUBL.) (SE) 2010-01-28 US claimed
WO-2009090239-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (PUBL) (SE) 2009-07-23 WO claimed
EP-2231650-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Biovitrum AB (publ) (SE) 2010-09-29 EP 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
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-20100022590-A1 Novel compounds BIOVITRUM AB (PUBL.) (SE) 2010-01-28 US disclosed
WO-2009090239-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (PUBL) (SE) 2009-07-23 WO 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 (2 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 KCNK3 2772/4885ROCK2 3629/4885ROCK1 2003/4885
US-20100022590-A1 Novel compounds HSD11B1, CYP11B1, HSD11B2 KCNK3 1910/4885ROCK2 1332/4885ROCK1 447/4885

“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.