SCHEMBL3175447

SCHEMBL3175447

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.44
SPHK1 Q9NYA1 1/20 0.44
ENPP2 Q13822 1/20 0.44
LRRK2 Q5S007 2/20 0.43
TRPV1 Q8NER1 5/20 0.42
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNB3 Q05901 1/20 0.40
HCRTR1 O43613 3/20 0.40
HRH3 Q9Y5N1 2/20 0.39
CNR2 P34972 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL3165916 1.00 SPHK2 (0.44) SPHK2SPHK1ENPP2LRRK2TRPV1
SCHEMBL3175613 0.88 KCNK3 (0.41) TRPV1HCRTR1CNR2
SCHEMBL3176891 0.88 KCNK3 (0.41) TRPV1HCRTR1CNR2
SCHEMBL3166135 0.88 KCNK3 (0.41) TRPV1HCRTR1CNR2
SCHEMBL3543223 0.84 SCD5 (0.52) HCRTR1
SCHEMBL3165821 0.78 KCNK3 (0.42) HCRTR1
SCHEMBL3172026 0.78 KCNK3 (0.42) HCRTR1
SCHEMBL3166199 0.78 KCNK3 (0.42) HCRTR1
SCHEMBL3546158 0.74 RXFP1 (0.48) TRPV1HCRTR1SCN9A
SCHEMBL13501772 0.74 HRH3 (0.48) HRH3

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 SPHK2 3590/4885SPHK1 2958/4885ENPP2 4598/4885
US-20100022590-A1 Novel compounds HSD11B1, CYP11B1, HSD11B2 SPHK2 2999/4885SPHK1 2358/4885ENPP2 2465/4885

“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.