SCHEMBL3548320

SCHEMBL3548320

COc1ccc(C2CCN(C(=O)c3cnoc3-c3ccc(C)cc3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
PROKR1 Q8TCW9 7/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.43
MYC P01106 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL3554777 0.93 HCRTR1 (0.52) HCRTR1HCRTR2PROKR1ALDH1A1LMNA
SCHEMBL3547284 0.91 ALDH1A1 (0.56) HCRTR1HCRTR2ALDH1A1LMNAHPGD
SCHEMBL3553605 0.89 HCRTR1 (0.48) HCRTR1HCRTR2PROKR1LMNARAB9A
SCHEMBL3549119 0.89 FASN (0.46) HCRTR1HCRTR2PROKR1ALDH1A1LMNA
SCHEMBL3542550 0.88 PROKR1 (0.50) HCRTR1HCRTR2PROKR1LMNAMAPT
SCHEMBL3546658 0.88 RAB9A (0.53) MEN1KMT2AHCRTR1HCRTR2PROKR1
SCHEMBL3543132 0.88 HCRTR1 (0.56) HCRTR1HCRTR2LMNARAB9AMAPT
SCHEMBL3544988 0.85 HCRTR1 (0.46) MEN1KMT2AHCRTR1HCRTR2PROKR1
SCHEMBL3549499 0.85 HCRTR1 (0.46) MEN1KMT2AHCRTR1HCRTR2PROKR1
SCHEMBL3542653 0.84 ALDH1A1 (0.46) MEN1KMT2AHCRTR1HCRTR2ALDH1A1

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 MEN1 1658/4885KMT2A 2389/4885HCRTR1 314/4885

“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.