SCHEMBL6764359

SCHEMBL6764359

CC(C)(C)Oc1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
GPR3 P46089 3/20 0.42
SLC22A12 Q96S37 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
GRM5 P41594 1/20 0.41
KIF11 P52732 3/20 0.41
CETP P11597 1/20 0.41
F10 P00742 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL260934 0.89 KIF11 (0.47) KIF11CETP
SCHEMBL3147185 0.89 GPR3 (0.50) CHRM2CHRM1CHRM3GPR3SLC22A12
SCHEMBL5270292 0.85 KCNH2 (0.47) KCNH2SCN10ACHRM2CHRM1CHRM3
SCHEMBL1526052 0.83 NPC1 (0.53) KCNH2NPC1RAB9A
SCHEMBL13019852 0.82 LMNA (0.44) CETPNPC1RAB9A
SCHEMBL13923557 0.81 MAPT (0.47) KCNH2SCN10AGPR3KIF11
SCHEMBL3146332 0.80 GPR3 (0.44) CHRM2CHRM1CHRM3GPR3SLC22A12
SCHEMBL678558 0.80 ACHE (0.52) NPC1RAB9A
SCHEMBL102298 0.79 KIF11 (0.49) KCNH2SCN10ACHRM2CHRM1CHRM3
SCHEMBL2737127 0.79 L3MBTL1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2018-03-01 US disclosed
US-9663496-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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 (3 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B KCNH2 788/4885SCN10A 1044/4885CHRM2 219/4885
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 KCNH2 3835/4885SCN10A 3970/4885CHRM2 1350/4885
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 KCNH2 3835/4885SCN10A 3970/4885CHRM2 1350/4885

“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.