SCHEMBL3545756

SCHEMBL3545756

Cc1ccc(-c2oncc2C(=O)N2CCC(F)(F)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
ALDH1A1 P00352 7/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 3/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GABRA5 P31644 2/20 0.41
TLR4 O00206 1/20 0.41
LMNA P02545 1/20 0.40
GABRA1 P14867 2/20 0.39
CNR1 P21554 1/20 0.38
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.37
GABRD O14764 1/20 0.37

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
SCHEMBL3548094 0.86 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1NPC1RAB9A
SCHEMBL3186687 0.86 ALDH1A1 (0.54) HCRTR1HCRTR2ALDH1A1NPC1RAB9A
SCHEMBL3546337 0.83 CYP46A1 (0.56) HCRTR1HCRTR2ALDH1A1HPGDTP53
SCHEMBL14304942 0.82 HCRTR1 (0.46) HCRTR1HCRTR2ALDH1A1NPC1RAB9A
SCHEMBL13501704 0.81 CYP46A1 (0.51) HCRTR1HCRTR2ALDH1A1NPC1RAB9A
SCHEMBL3549632 0.81 ALDH1A1 (0.50) HCRTR1HCRTR2ALDH1A1NPC1RAB9A
SCHEMBL3549477 0.81 ALDH1A1 (0.48) HCRTR1HCRTR2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3542108 0.80 CYP46A1 (0.58) HCRTR1HCRTR2CYP46A1
SCHEMBL3546539 0.80 HCRTR1 (0.47) HCRTR1HCRTR2SPR
SCHEMBL3545194 0.80 F11 (0.50) HCRTR1HCRTR2ALDH1A1SPR

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 HCRTR1 314/4885HCRTR2 531/4885ALDH1A1 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.