SCHEMBL19687041

SCHEMBL19687041

COC(=O)N1CC(Oc2cc(NC3CCC(F)CC3)nc(-c3nc(C)cs3)n2)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.35
RAB9A P51151 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
P2RY12 Q9H244 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
TYK2 P29597 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
SCHEMBL31127170 0.92 FABP4 (0.35) GRM5
SCHEMBL21143993 0.92 FABP4 (0.35) GRM5
SCHEMBL19686994 0.91 LMNA (0.37) GRM5RAB9AHRH3JAK2JAK1
SCHEMBL31127077 0.91 GRM5 (0.34) GRM5RAB9ANOS3NOS1NOS2
SCHEMBL19686998 0.91 GRM5 (0.34) GRM5RAB9ANOS3NOS1NOS2
SCHEMBL19687029 0.90 GRM5 (0.34) GRM5RAB9AGRIN1GRIN2BP2RY12
SCHEMBL19687400 0.90 IDH1 (0.38) GRM5RAB9AIRAK4HRH3
SCHEMBL31127156 0.90 IDH1 (0.38) GRM5RAB9AIRAK4HRH3
SCHEMBL19687028 0.85 GRM5 (0.34) GRM5RAB9AHCRTR1HCRTR2
SCHEMBL19687119 0.84 IDH1 (0.37) RAB9ANOS3NOS1NOS2IRAK4

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-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 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 (2 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 GRM5 1096/4885RAB9A 1362/4885GRIN1 294/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 GRM5 1096/4885RAB9A 1362/4885GRIN1 294/4885

“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.