SCHEMBL3779145

SCHEMBL3779145

CCc1nc(C(F)(F)F)ccc1C=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HEXA P06865 1/20 0.32
HEXB P07686 1/20 0.32
P2RX7 Q99572 1/20 0.32
KIT P10721 1/20 0.32
CDK8 P49336 1/20 0.32
ACVR1 Q04771 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL3772762 0.79 KDM4E (0.40) MEN1KMT2AALDH1A1GAANPC1
SCHEMBL3772760 0.79 KDM4E (0.40) MEN1KMT2AALDH1A1GAANPC1
SCHEMBL30971512 0.78 TRPV1 (0.40) ALDH1A1GAANPC1RAB9ALMNA
SCHEMBL3772488 0.78 TRPV1 (0.40) ALDH1A1GAANPC1RAB9ALMNA
SCHEMBL3776168 0.77 TRPV1 (0.41) HCRTR1P2RX7PDE4BHCRTR2L3MBTL1
SCHEMBL15088146 0.76 NPC1 (0.38) ALDH1A1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL3776860 0.76 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL3781212 0.75 KMT2A (0.40) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL3781216 0.75 KMT2A (0.40) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL29685815 0.74 TRPV4 (0.32) MEN1KMT2ALMNAP2RX7PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 EP disclosed
CN-101522674-B Novel compounds, pharmaceutically acceptable salts as vanilloid receptor antagonist and pharmaceutical composition comprising the compounds AMOREPACIFIC CORP 2013-08-21 CN disclosed
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US disclosed
CN-101522674-A Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist AMOREPACIFIC CORP (KR) 2009-09-02 CN disclosed
EP-2054411-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2009-05-06 EP disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 US disclosed
WO-2008013414-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-01-31 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 (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-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 HCRTR1 424/4885MEN1 1024/4885KMT2A 4527/4885

“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.