SCHEMBL3172001

SCHEMBL3172001

Cc1ccc(-c2nocc2C(=O)N2CCC[C@@H](C(C)(C)O)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
RAB9A P51151 4/20 0.40
TP53 P04637 3/20 0.40
NPC1 O15118 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL3973901 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL3181831 0.89 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL3968856 0.89 LMNA (0.45) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL3181486 0.89 LMNA (0.45) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL3181418 0.86 PDE2A (0.39) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL3186439 0.86 PDE2A (0.39) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL3666251 0.86 PDE2A (0.39) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL3171841 0.84 LMNA (0.42) TSHRLMNAHTTRAB9ANPC1
SCHEMBL3664032 0.84 LMNA (0.42) TSHRLMNAHTTRAB9ANPC1
SCHEMBL3173484 0.84 LMNA (0.42) TSHRLMNAHTTRAB9ANPC1

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 12 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
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
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 SMN1; SMN2 3710/4885ALDH1A1 86/4885TSHR 2190/4885
US-20100022590-A1 Novel compounds HSD11B1, CYP11B1, HSD11B2 SMN1; SMN2 3935/4885ALDH1A1 164/4885TSHR 3641/4885

“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.