SCHEMBL959110

SCHEMBL959110

CCCCNc1cc(F)ccc1C(=O)N(C)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
LMNA P02545 2/20 0.38
CNR1 P21554 2/20 0.38
MAPK1 P28482 2/20 0.38
SCN5A Q14524 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAOA P21397 1/20 0.38
DRD4 P21917 1/20 0.38
ACHE P22303 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
NTSR1 P30989 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SCN1A P35498 1/20 0.38

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
SCHEMBL957221 0.92 CHRNA7 (0.39) KDM6BKDM4CLMNAKDM4ERAB9A
SCHEMBL955192 0.87 TRPM8 (0.37) KDM4EALDH1A1
SCHEMBL3362320 0.78 HDAC3 (0.44) KDM6BKDM4CHDAC3HDAC1HDAC2
SCHEMBL955126 0.77 CFTR (0.42) CYP1A2KDM4EALDH1A1GAACYP3A4
SCHEMBL15635588 0.75 KDM4E (0.46) KDM6BKDM4CHDAC3HDAC1HDAC2
SCHEMBL847754 0.74 AKR1C3 (0.49) RAB9AJAK2
SCHEMBL14576268 0.73 HTT (0.46) KDM4ERAB9AJAK2ALDH1A1GAA
SCHEMBL6710893 0.73 CES2 (0.53)
SCHEMBL956206 0.72 ALDH1A1 (0.41) KDM6BKDM4CHDAC3HDAC1HDAC2
SCHEMBL956205 0.72 ALDH1A1 (0.41) KDM6BKDM4CHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238105-B1 NOVEL COMPOUNDS AS VANILLOID RECEPTOR ANTAGONISTS AMOREPACIFIC CORP (KR) 2014-04-16 EP disclosed
US-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2014-01-09 US disclosed
US-8557872-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2013-10-15 US disclosed
US-20110015230-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-01-20 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 (2 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-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 KDM6B 4807/4885KDM4C 4772/4885HDAC3 2893/4885
US-20110015230-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 KDM6B 4807/4885KDM4C 4772/4885HDAC3 2893/4885

“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.