SCHEMBL891460

SCHEMBL891460

CC(C)(C)OC(=O)NCCNC(=O)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 1/20 0.41
EGFR P00533 1/20 0.41
HPGD P15428 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNMA1 Q12791 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL10155412 0.91 ALDH1A1 (0.41) NPC1RAB9ACYP3A4ALDH1A1EGFR
SCHEMBL27739952 0.82 NPC1 (0.42) NPC1RAB9ACYP3A4HPGDCYP2C19
SCHEMBL10193104 0.81 NPC1 (0.44) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL11010758 0.80 NPC1 (0.50) NPC1RAB9ACYP3A4HPGDCYP2C19
SCHEMBL27739947 0.79 SMN1; SMN2 (0.42) NPC1RAB9ACYP3A4ALDH1A1HPGD
SCHEMBL11013047 0.79 NPC1 (0.52) NPC1RAB9ACYP3A4HPGDCYP2C19
SCHEMBL11719929 0.79 NPC1 (0.49) NPC1RAB9ACYP3A4HPGDCYP2C19
SCHEMBL30163832 0.79 MAPT (0.53) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL592368 0.79 ATM (0.44) ALDH1A1L3MBTL1KCNMA1MAPTHTT
SCHEMBL4837420 0.78 ALDH1A1 (0.50) ALDH1A1HPGDL3MBTL1MAPTSMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2510925-B1 Small-Molecule modulators of TRP-P8 activity DENDREON CORP (US) 2016-07-20 EP disclosed
US-8618155-B2 Small-molecule modulators of Trp-p8 activity DENDREON CORPORATION (US) 2013-12-31 US disclosed
US-8614243-B2 Small-molecule modulators of Trp-p8 activity DENDREON CORPORATION (US) 2013-12-24 US disclosed
EP-2510925-A2 Small-Molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2012-10-17 EP disclosed
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-09-06 US disclosed
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-04-05 US disclosed
EP-2268273-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2011-01-05 EP disclosed
US-7772266-B2 treating or preventing benign prostatic hyperplasia, enlarged prostate, acute urinary retention with 2-Isopropyl-5-methyl-cyclohexanecarboxylic acid (2-amino-2-phenyl-ethyl)-amide; agonists or antagonists of a transient receptor potential proteins; anticarcinogenic agent DENDREON CORPORATION (US) 2010-08-10 US disclosed
US-7741355-B2 Small-molecule modulators of TRP-p8 activity DENDREON CORPORATION (US) 2010-06-22 US disclosed
WO-2009067410-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2009-05-28 WO disclosed
EP-1986622-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-11-05 EP disclosed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 US disclosed
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 US disclosed
WO-2007095340-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2007-08-23 WO 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 (4 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-20070232603-A1 Small-molecule modulators of TRP-P8 activity TRPC4, TRPC3, TRPC1 NPC1 1258/4885RAB9A 2630/4885CYP3A4 3295/4885
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 NPC1 1258/4885RAB9A 2630/4885CYP3A4 3295/4885
US-20120225871-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 NPC1 1258/4885RAB9A 2630/4885CYP3A4 3295/4885
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 NPC1 1258/4885RAB9A 2630/4885CYP3A4 3295/4885

“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.