SCHEMBL31428702

SCHEMBL31428702

CN(Cc1ccc2nc(C=O)ccc2c1)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PDE1B Q01064 2/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 1/20 0.34
CCR2 P41597 1/20 0.34
ITK Q08881 1/20 0.34
CHEK1 O14757 1/20 0.34
SCN9A Q15858 1/20 0.33
KCNJ1 P48048 1/20 0.33
PDE7B Q9NP56 1/20 0.33

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
SCHEMBL31428457 0.84 SLC6A2 (0.48) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL24975787 0.84 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1KMT2A
SCHEMBL31428800 0.84 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL24975790 0.84 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL31429036 0.83 HRH3 (0.44) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL13638825 0.76 HRH3 (0.41) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL31428910 0.75 ALDH1A1 (0.44) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL7222772 0.74 HRH3 (0.51) NPC1RAB9AHRH4HRH3LMNA
SCHEMBL13638747 0.74 HRH3 (0.40) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL24977045 0.72 HRH3 (0.45) NPC1RAB9AHRH3LMNAALDH1A1

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS NPC1 3237/4885RAB9A 67/4885SLC6A2 4445/4885

“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.