SCHEMBL3546158

SCHEMBL3546158

O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1)N1CCCC(C(F)(F)F)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 3/20 0.43
RAB9A P51151 2/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
SPR P35270 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN9A Q15858 1/20 0.41
UBE2N P61088 1/20 0.40

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
SCHEMBL3171542 0.91 RAB9A (0.43) RXFP1TDP1TRPV1RAB9AHCRTR1
SCHEMBL3541789 0.90 CRHBP (0.49) RXFP1TDP1L3MBTL1RAB9AHCRTR1
SCHEMBL3555064 0.84 TRPV1 (0.46) TRPV1HCRTR1HCRTR2
SCHEMBL3546907 0.82 NAMPT (0.45) TRPV1HCRTR1HCRTR2SPR
SCHEMBL3543644 0.81 NPC1 (0.46) TRPV1RAB9AHCRTR1HCRTR2MEN1
SCHEMBL3165998 0.80 HCRTR1 (0.44) RXFP1RAB9AHCRTR1HCRTR2MEN1
SCHEMBL3173489 0.80 HCRTR1 (0.44) RXFP1RAB9AHCRTR1HCRTR2MEN1
SCHEMBL3662497 0.80 HCRTR1 (0.44) RXFP1RAB9AHCRTR1HCRTR2MEN1
SCHEMBL3549499 0.80 HCRTR1 (0.46) TRPV1RAB9AHCRTR1HCRTR2MEN1
SCHEMBL3544988 0.80 HCRTR1 (0.46) TRPV1RAB9AHCRTR1HCRTR2MEN1

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 RXFP1 1314/4885TDP1 1928/4885L3MBTL1 4317/4885

“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.