SCHEMBL30163579

SCHEMBL30163579

Cc1ccc2cc(CNC3C[C@H](C)O[C@@H](C)C3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.46
HRH3 Q9Y5N1 3/20 0.46
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PDE10A Q9Y233 5/20 0.36
MCHR1 Q99705 4/20 0.36
OPRK1 P41145 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
SCHEMBL30163569 1.00 KCNH2 (0.46) KCNH2HRH3CYP1A2KDM4ELMNA
SCHEMBL31428611 0.74 HRH3 (0.47) KCNH2HRH3KDM4ELMNAPOLB
SCHEMBL31682518 0.70 GRIN2B (0.50) RAB9AOPRK1
SCHEMBL375294 0.69 KDM1A (0.37) CYP1A2KDM4EPOLB
SCHEMBL29518266 0.69 CYP1A2 (0.57) KCNH2HRH3CYP1A2KDM4ELMNA
SCHEMBL1206321 0.69 CYP1A2 (0.57) KCNH2HRH3CYP1A2KDM4ELMNA
SCHEMBL21618429 0.69 CYP1A2 (0.61) KCNH2HRH3CYP1A2KDM4ELMNA
SCHEMBL24977046 0.67 KCNH2 (0.36) KCNH2HRH3KDM4EHCAR2NPC1
SCHEMBL31429023 0.67 KCNH2 (0.36) KCNH2HRH3KDM4EHCAR2NPC1
SCHEMBL31428845 0.67 KCNH2 (0.36) KCNH2HRH3KDM4EHCAR2NPC1

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 US disclosed
WO-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO 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 2324/4885CYP1A2 3982/4885

“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.