SCHEMBL3546454

SCHEMBL3546454

CC(C)(C)CC(=O)Nc1cc2c3c(c1)c1c(n3CCC2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 14/20 0.41
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL3545018 0.99 KCNQ2 (0.40) KCNQ2HTR2AHTR2CCNR1CNR2
SCHEMBL3541767 0.94 HTR2A (0.38) KCNQ2HTR2AHTR2CCNR1CNR2
SCHEMBL3542640 0.94 HTR2A (0.38) KCNQ2HTR2AHTR2CCNR1CNR2
SCHEMBL3546317 0.87 HTR2C (0.40) HTR2AHTR2CCNR1CNR2
SCHEMBL3547101 0.86 KCNQ2 (0.39) KCNQ2CNR1CNR2
SCHEMBL13501879 0.85 KCNQ2 (0.39) KCNQ2CNR1CNR2
SCHEMBL3538998 0.85 RORC (0.41) HTR2AHTR2C
SCHEMBL3551076 0.84 CNR2 (0.41) HTR2AHTR2CCNR1CNR2
SCHEMBL3545321 0.84 HTR2C (0.43) HTR2AHTR2C
SCHEMBL3546473 0.84 RORC (0.41) HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662831-B2 Tetracyclic indoles as potassium channel modulators WYETH LLC (US) 2010-02-16 US claimed
US-20080027090-A1 TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS WYETH (US) 2008-01-31 US claimed
US-7662831-B2 Tetracyclic indoles as potassium channel modulators WYETH LLC (US) 2010-02-16 US disclosed
US-7662831-B2 Tetracyclic indoles as potassium channel modulators WYETH LLC (US) 2010-02-16 US disclosed
US-7662831-B2 Tetracyclic indoles as potassium channel modulators WYETH LLC (US) 2010-02-16 US disclosed
US-20080027090-A1 TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS WYETH (US) 2008-01-31 US disclosed
US-20080027090-A1 TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS WYETH (US) 2008-01-31 US disclosed
US-20080027090-A1 TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS WYETH (US) 2008-01-31 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-20080027090-A1 TETRACYCLIC INDOLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNA5, KCNK5 KCNQ2 10/4885HTR2A 267/4885HTR2C 223/4885

“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.