SCHEMBL13043816

SCHEMBL13043816

CNC(c1ccc(C)cc1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
CHRNA7 P36544 1/20 0.35
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR1E P28566 1/20 0.33
S1PR3 Q99500 1/20 0.33
PDE2A O00408 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL29088759 0.82 POLB (0.39)
SCHEMBL434656 0.82 SLC6A4 (0.40) TDP1TSHR
SCHEMBL10063384 0.81 IDO1 (0.44) KCNA5TSHRMEN1KMT2A
SCHEMBL434632 0.77 PDE2A (0.46) PDE2A
SCHEMBL22244741 0.74 HSD17B1 (0.34) KCNA5HSD17B1HSD17B2PDE2A
SCHEMBL20217167 0.72 GAA (0.50) HTR1ES1PR3MEN1KMT2A
SCHEMBL16232135 0.70 OPRM1 (0.47) CHRNA7ACHETDP1MEN1KMT2A
SCHEMBL16232133 0.70 OPRM1 (0.47) CHRNA7ACHETDP1MEN1KMT2A
SCHEMBL16232134 0.70 OPRM1 (0.47) CHRNA7ACHETDP1MEN1KMT2A
SCHEMBL12526093 0.70 HRH1 (0.47) HSD17B2CHRNA7TSHRMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 KCNA5 18/4885HSD17B1 3968/4885HSD17B2 4037/4885

“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.