SCHEMBL19687029

SCHEMBL19687029

Cc1csc(-c2nc(NC3CCC(F)CC3)cc(OC3CN(C(=O)C(C)C)C3)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.34
P2RY12 Q9H244 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
RAB9A P51151 1/20 0.30
SLC5A7 Q9GZV3 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
SCHEMBL21165836 0.91 IDH1 (0.39) GRM5HRH3
SCHEMBL19687041 0.90 GRM5 (0.35) GRM5P2RY12HRH3GRIN1GRIN2B
SCHEMBL21143993 0.87 FABP4 (0.35) GRM5
SCHEMBL31127170 0.87 FABP4 (0.35) GRM5
SCHEMBL31127156 0.81 IDH1 (0.38) GRM5HRH3RAB9A
SCHEMBL19687400 0.81 IDH1 (0.38) GRM5HRH3RAB9A
SCHEMBL19686917 0.81 IDH1 (0.38)
SCHEMBL19686994 0.81 LMNA (0.37) GRM5HRH3RAB9A
SCHEMBL31127077 0.81 GRM5 (0.34) GRM5P2RY12RAB9A
SCHEMBL19686998 0.81 GRM5 (0.34) GRM5P2RY12RAB9A

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 1096/4885P2RY12 617/4885HRH3 2995/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 GRM5 1096/4885P2RY12 617/4885HRH3 2995/4885

“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.