SCHEMBL23665191

SCHEMBL23665191

CCCOc1ccc(C(F)(F)F)cc1-c1ccc(N)nc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.46
MCHR1 Q99705 1/20 0.42
BACE1 P56817 1/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TLR8 Q9NR97 1/20 0.39
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 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
SCHEMBL263783 0.83 MCHR1 (0.48) MCHR1BACE1MAPTATMTLR8
SCHEMBL23665256 0.82 MCHR1 (0.46) MCHR1BACE1MAPTATMTLR8
SCHEMBL21223760 0.80 BACE1 (0.42) PTGDR2MCHR1BACE1L3MBTL1TLR8
SCHEMBL23665203 0.78 MCHR1 (0.50) MCHR1BACE1MAPTATMTLR8
SCHEMBL23665199 0.76 MCHR1 (0.48) MCHR1BACE1MAPTATMTLR8
SCHEMBL10352193 0.75 L3MBTL1 (0.60) PTGDR2MAPTATMLMNAL3MBTL1
SCHEMBL21223132 0.75 BACE1 (0.51) BACE1
SCHEMBL14471138 0.72 PPARG (0.51) PTGDR2L3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL264202 0.71 MCHR1 (0.36) MCHR1BACE1CYP11B1CYP11B2
SCHEMBL21223293 0.70 MCHR1 (0.57) MCHR1MAPTTLR8CYP19A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 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 (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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 PTGDR2 55/4885MCHR1 3276/4885BACE1 3964/4885

“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.