SCHEMBL3544606

SCHEMBL3544606

Cc1ccc(-c2oncc2C(=O)N2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 7/20 0.63
KDM4E B2RXH2 4/20 0.56
TSHR P16473 2/20 0.56
TP53 P04637 2/20 0.56
NPC1 O15118 1/20 0.56
ALOX15 P16050 1/20 0.56
RAB9A P51151 1/20 0.56
HSD17B10 Q99714 1/20 0.56
PKM P14618 2/20 0.53
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL3543510 0.88 KDM4E (0.63) SLC6A7KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL3548124 0.85 MEN1 (0.53) SLC6A7KDM4ETSHRTP53ALDH1A1
SCHEMBL3186687 0.83 ALDH1A1 (0.54) KDM4ETSHRTP53NPC1RAB9A
SCHEMBL3549632 0.81 ALDH1A1 (0.50) TSHRTP53NPC1RAB9AALDH1A1
SCHEMBL13501704 0.79 CYP46A1 (0.51) TSHRTP53NPC1RAB9AALDH1A1
SCHEMBL3583053 0.78 SLC6A7 (1.00) SLC6A7KDM4ETSHRALDH1A1L3MBTL1
SCHEMBL3579156 0.78 SLC6A7 (0.75) SLC6A7KDM4ETSHRTP53NPC1
SCHEMBL3545756 0.78 HCRTR1 (0.43) KDM4ETSHRTP53NPC1RAB9A
SCHEMBL3552122 0.77 HCRTR1 (0.50) KDM4EALDH1A1CYP2C19LMNACYP3A4
SCHEMBL3580304 0.77 SLC6A7 (0.70) SLC6A7KDM4ETSHRTP53NPC1

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 SLC6A7 1737/4885KDM4E 702/4885TSHR 2190/4885

“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.