SCHEMBL19257092

SCHEMBL19257092

CCCC(C)(C)c1ccc2c(F)nccc2c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.34
CNR2 P34972 6/20 0.33
CNR1 P21554 3/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL19257090 0.84 CYP2A6 (0.42) GRM4CNR2CNR1
SCHEMBL19256875 0.82 TDP1 (0.34) GRM4CNR2CNR1MKNK1MKNK2
SCHEMBL9880937 0.81 ALOX5AP (0.39)
SCHEMBL19592834 0.74 MKNK1 (0.47) CNR2CNR1MKNK1MKNK2
SCHEMBL9883144 0.71 ROCK1 (0.45)
SCHEMBL24147138 0.71 TDP1 (0.42) GRM4MKNK1MKNK2
SCHEMBL14035943 0.71 ROCK1 (0.53)
SCHEMBL23386421 0.71 CNR1 (0.42) CNR2CNR1
SCHEMBL19256867 0.71 MAPK1 (0.37) CNR2CNR1
SCHEMBL12316027 0.71 CNR2 (0.42) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951059-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2017-08-17 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-20170233381-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 GRM4 868/4885CNR2 1434/4885CNR1 2362/4885

“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.