SCHEMBL4757968

SCHEMBL4757968

COc1cc(F)cc2c(O)cc(C)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PDE2A O00408 11/20 0.35
PDE10A Q9Y233 11/20 0.35
RET P07949 1/20 0.35
KIF5B P33176 1/20 0.35
KDR P35968 1/20 0.35
DHFR P00374 1/20 0.35
PDE5A O76074 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4D Q08499 2/20 0.34
PDE6D O43924 2/20 0.34
PDE6A P16499 2/20 0.34
PDE6G P18545 2/20 0.34
PDE6B P35913 2/20 0.34
PDE6C P51160 2/20 0.34

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
SCHEMBL20521814 0.82 CYP3A4 (0.44) MAPTNPC1POLBGAAKMT2A
SCHEMBL6587566 0.81 KMT2A (0.43) MAPTNPC1GAAKDROPRK1
SCHEMBL9830239 0.81 NQO2 (0.46) MAPTNPC1POLBGAADHFR
SCHEMBL4244668 0.81 CRHR1 (0.41) MAPTNPC1PDE2APDE10ADHFR
SCHEMBL30615098 0.79 ADORA2A (0.35) PDE2APDE10ARETKIF5BKDR
SCHEMBL29091670 0.79 ADORA2A (0.35) PDE2APDE10ARETKIF5BKDR
SCHEMBL20680327 0.77 LMNA (0.38) MAPTGAAOPRK1KMT2A
SCHEMBL21996308 0.76 ADORA2A (0.40) NPC1KDRADORA2A
SCHEMBL1564292 0.75 GAA (0.54) MAPTNPC1POLBGAAPDE10A
SCHEMBL13738009 0.74 CCR1 (0.46) MAPTPDE2APDE10APDE5APDE11A

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
US-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
US-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
WO-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 WO disclosed
WO-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 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-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS TRPV1, TRPV2, TRPA1 MAPT 2142/4885NPC1 1874/4885POLB 3990/4885

“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.