SCHEMBL13208403

SCHEMBL13208403

COc1cnc2cc(C(C)(C)C)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PDE10A Q9Y233 1/20 0.39
PDGFRB P09619 4/20 0.37
PDGFRA P16234 4/20 0.37
GAK O14976 1/20 0.36
RIPK2 O43353 1/20 0.36
COQ8A Q8NI60 1/20 0.36
NLK Q9UBE8 1/20 0.36
SCN10A Q9Y5Y9 3/20 0.36
KCNH2 Q12809 1/20 0.36
TDO2 P48775 1/20 0.36
CSF1R P07333 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL13226969 0.84 NPSR1 (0.37) HTTNPSR1NPC1RAB9ARXFP1
SCHEMBL13552130 0.80 HTT (0.41) HTTNPSR1NPC1RAB9ARXFP1
SCHEMBL28035890 0.77 RAB9A (0.56) HTTNPSR1NPC1RAB9ARXFP1
SCHEMBL8058635 0.77 ALDH1A1 (0.47) HTTNPSR1NPC1RAB9ARXFP1
SCHEMBL16232299 0.77 PDE10A (0.41) NPC1RAB9APDE10ASCN10AKCNH2
SCHEMBL4548610 0.77 PDE10A (0.41) NPC1RAB9APDE10ASCN10AKCNH2
SCHEMBL3662373 0.76 ALDH1A1 (0.52) RAB9ARXFP1PDE10ASCN10AKCNH2
SCHEMBL12755253 0.76 PDE10A (0.40) NPC1RAB9APDE10ASCN10AKCNH2
SCHEMBL19798863 0.76 BACE1 (0.39) GAKRIPK2COQ8ANLKSCN10A
SCHEMBL30891066 0.76 TLR9 (0.50) HTTNPSR1NPC1RAB9ARXFP1

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-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 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-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 HTT 615/4885NPSR1 370/4885NPC1 923/4885

“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.