SCHEMBL22601334

SCHEMBL22601334

CCCC(C)c1cnn(C)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
IDO1 P14902 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
OPRM1 P35372 2/20 0.30
P2RX7 Q99572 2/20 0.30
OPRD1 P41143 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
SCHEMBL20273118 0.86 NPC1 (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL24919732 0.84 ALDH1A1 (0.36) NPC1RAB9AGRNSORT1IDO1
SCHEMBL15304182 0.84 ALDH1A1 (0.36) NPC1RAB9AGRNSORT1IDO1
SCHEMBL25718332 0.82 IDO1 (0.32) ACHENPC1RAB9AIDO1ALDH1A1
SCHEMBL23815815 0.80 NAMPT (0.39) ACHEALDH1A1HTTL3MBTL1
SCHEMBL19003524 0.79 IDO1 (0.31) NPC1RAB9AIDO1ALDH1A1HTT
SCHEMBL20193877 0.79 ACHE (0.39) ACHEIDO1
SCHEMBL20122134 0.78 GRN (0.33) GRNSORT1IDO1ALDH1A1HTT
SCHEMBL26928487 0.78 GRN (0.36) NPC1RAB9AGRNSORT1IDO1
SCHEMBL24406265 0.78 ACHE (0.38) ACHE

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-11407737-B2 Inhibitors of RAF kinases KINNATE BIOPHARMA INC. (US) 2022-08-09 US disclosed
US-20200339542-A1 AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2020-10-29 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 (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-11407737-B2 Inhibitors of RAF kinases BRAF, RAF1, ARAF ACHE 4851/4885NPC1 2530/4885RAB9A 1050/4885
US-20200339542-A1 AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS PIK3CD, PIK3R5, PIK3CG ACHE 3481/4885NPC1 3840/4885RAB9A 675/4885

“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.