SCHEMBL18685331

SCHEMBL18685331

CC(CC1CCC1)[C@@H](N)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
DPEP1 P16444 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL6614694 0.80 DPEP1 (0.38) DPEP1
SCHEMBL23315549 0.76 CTSL (0.39)
SCHEMBL8508772 0.73 CYP1A2 (0.44)
SCHEMBL6542877 0.72 SLC6A2 (0.39) SLC6A3KCNH2
SCHEMBL5455820 0.72 SLC6A2 (0.39) SLC6A3KCNH2
Ammonia Solution, Strong SCHEMBL27594272 0.70 SLC6A2 (0.38) SLC6A3KCNH2
SCHEMBL12473621 0.70 SLC6A2 (0.41) SLC6A3
SCHEMBL8256061 0.68 IDO1 (0.44) SLC6A3KCNH2MAOAMAOB
SCHEMBL349726 0.68 IDO1 (0.44) SLC6A3KCNH2MAOAMAOB
SCHEMBL12052163 0.68 IDO1 (0.44) SLC6A3KCNH2MAOAMAOB

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-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

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 SLC6A3 296/4885KCNH2 4/4885DPEP1 3859/4885

“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.