SCHEMBL19852991

SCHEMBL19852991

CC1(C(F)(F)F)CCc2nc3cc(C#Cc4ccccn4)cnc3c(=O)n2C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
HCRTR1 O43613 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GRM5 P41594 9/20 0.34

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
SCHEMBL15835022 0.89 NPC1 (0.41) NPC1HCRTR1RAB9APOLBPTPN7
SCHEMBL9994310 0.88 GRM5 (0.40) NPC1HCRTR1RAB9APOLBPTPN7
SCHEMBL19852990 0.85 POLB (0.35) NPC1HCRTR1RAB9APOLBPTPN7
SCHEMBL14239096 0.85 POLB (0.35) NPC1HCRTR1RAB9APOLBPTPN7
SCHEMBL15818228 0.84 GRM5 (0.36) NPC1HCRTR1RAB9APOLBPTPN7
SCHEMBL19846643 0.84 POLB (0.34) NPC1HCRTR1RAB9APOLBPTPN7
SCHEMBL20755816 0.84 GRM5 (0.37) NPC1HCRTR1RAB9APOLBPTPN7
SCHEMBL14239094 0.83 POLB (0.34) NPC1HCRTR1RAB9APOLBPTPN7
SCHEMBL6923322 0.82 GRM5 (0.39) NPC1HCRTR1RAB9APOLBPTPN7
SCHEMBL14239419 0.82 GRM5 (0.35) NPC1HCRTR1RAB9APOLBPTPN7

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-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 (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-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 NPC1 1799/4885HCRTR1 185/4885RAB9A 3289/4885

“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.