SCHEMBL31428845

SCHEMBL31428845

Cc1ccc2cc(CN(C(=O)OC(C)(C)C)C3C[C@@H](C)O[C@@H](C)C3)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CETP P11597 2/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HSD11B1 P28845 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM1A O60341 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 2/20 0.32
GRM2 Q14416 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL24977046 1.00 KCNH2 (0.36) KCNH2HRH3CETPHCAR2HSD11B1
SCHEMBL31429023 1.00 KCNH2 (0.36) KCNH2HRH3CETPHCAR2HSD11B1
SCHEMBL31428890 0.88 F2R (0.34) KCNH2CETPHSD11B1NPC1RAB9A
SCHEMBL31429027 0.88 F2R (0.34) KCNH2CETPHSD11B1NPC1RAB9A
SCHEMBL30163473 0.85 NR1H4 (0.38) KCNH2HRH3HCAR2HSD11B1NPC1
SCHEMBL24977051 0.82 CETP (0.33) CETPHSD11B1NPC1RAB9AKDM1A
SCHEMBL31429018 0.80 HTR2A (0.42) KCNH2HRH3HSD11B1NR1H4SLC6A2
SCHEMBL31428921 0.76 ALDH1A1 (0.37) HSD11B1
SCHEMBL31429024 0.76 ALDH1A1 (0.37) HSD11B1
SCHEMBL31428770 0.70 HSD11B1 (0.37) HSD11B1MEN1KMT2ANR1H4GRM2

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 KCNH2 3703/4885HRH3 2324/4885CETP 4024/4885

“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.