SCHEMBL31428611

SCHEMBL31428611

Cc1ccc2cc(CNC3CCN(C4COC4)CC3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
KCNH2 Q12809 3/20 0.47
OPRK1 P41145 5/20 0.37
OPRM1 P35372 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ACHE P22303 2/20 0.37
BACE1 P56817 2/20 0.37
CCR3 P51677 1/20 0.36
CD38 P28907 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
MCHR1 Q99705 1/20 0.36
MAP3K12 Q12852 1/20 0.35
PHGDH O43175 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
SCHEMBL31428837 0.79 HRH3 (0.45) HRH3KCNH2ACHE
SCHEMBL30163569 0.74 KCNH2 (0.46) HRH3KCNH2OPRK1KDM4ELMNA
SCHEMBL30163579 0.74 KCNH2 (0.46) HRH3KCNH2OPRK1KDM4ELMNA
SCHEMBL30163574 0.72 HRH3 (0.42) HRH3KCNH2KDM4ELMNAPOLB
SCHEMBL24975801 0.72 MAOB (0.43) KCNH2CCR3CD38LMNAMCHR1
SCHEMBL31428436 0.72 MAOB (0.43) KCNH2CCR3CD38LMNAMCHR1
SCHEMBL31429018 0.71 HTR2A (0.42) HRH3KCNH2
SCHEMBL30163534 0.68 L3MBTL3 (0.47) HRH3
SCHEMBL20794833 0.67 ACHE (0.48) OPRK1OPRM1ACHEBACE1
SCHEMBL20794834 0.67 ACHE (0.48) OPRK1OPRM1ACHEBACE1

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 HRH3 2324/4885KCNH2 3703/4885OPRK1 3654/4885

“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.