SCHEMBL19852986

SCHEMBL19852986

CCCC(C)c1ncccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
HRH1 P35367 1/20 0.38
GRM4 Q14833 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
BRD4 O60885 1/20 0.33
MYC P01106 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CNR1 P21554 1/20 0.32
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
KCNA5 P22460 1/20 0.31
HTR1A P08908 1/20 0.30

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
SCHEMBL469179 0.85 CYP2D6 (0.39) KCNH2CYP2D6CHRM1HRH1GRM4
SCHEMBL12388005 0.85 CYP2D6 (0.39) KCNH2CYP2D6CHRM1HRH1GRM4
SCHEMBL22040174 0.85 CYP2D6 (0.39) KCNH2CYP2D6CHRM1HRH1GRM4
SCHEMBL25715829 0.80 GRM4 (0.36) KCNH2CYP2D6GRM4TLR8TLR7
SCHEMBL18793682 0.80 TRPM8 (0.39) KCNH2CYP2D6CHRM1HRH1TRPM8
SCHEMBL25027608 0.80 NOS3 (0.39) KCNH2CYP2D6CHRM1HRH1GRM4
SCHEMBL22894715 0.79 GRM4 (0.36) KCNH2GRM4TLR8TLR7KCNA5
SCHEMBL25719569 0.79 GRM4 (0.36) KCNH2GRM4TLR8TLR7KCNA5
SCHEMBL23982947 0.79 CYP2D6 (0.38) CYP2D6HRH1GRM4TLR8TLR7
SCHEMBL26382131 0.79 GRM4 (0.36) KCNH2GRM4TLR8TLR7KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210340120-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-11-04 US disclosed
US-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 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-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 KCNH2 2434/4885CYP2D6 2732/4885CHRM1 664/4885
US-20210340120-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS DDT, ACHE, CYP51A1 KCNH2 1237/4885CYP2D6 333/4885CHRM1 29/4885
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 KCNH2 2434/4885CYP2D6 2732/4885CHRM1 664/4885

“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.