SCHEMBL3539382

SCHEMBL3539382

CCCCCC(=O)Nc1cc2c3c(c1)c1c(n3CCC2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.40
ACHE P22303 6/20 0.40
MAPT P10636 1/20 0.40
CNR1 P21554 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 2/20 0.39
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL3543021 0.99 BCHE (0.40) BCHEACHEMAPTCNR1MAPK1
SCHEMBL3540203 0.96 BCHE (0.39) BCHEACHEMAPTMAPK1LMNA
SCHEMBL3541848 0.94 MAPT (0.40) BCHEACHEMAPTCNR1MAPK1
SCHEMBL3539295 0.93 CNR1 (0.41) BCHEACHEMAPTCNR1LMNA
SCHEMBL3540288 0.91 RAB9A (0.39) BCHEACHEMAPTMAPK1LMNA
SCHEMBL3546317 0.87 HTR2C (0.40) BCHEACHECNR1MAPK1LMNA
SCHEMBL3546454 0.83 KCNQ2 (0.41) CNR1HTR2AHTR2C
SCHEMBL3551076 0.78 CNR2 (0.41) MAPTCNR1MAPK1MEN1KMT2A
SCHEMBL3543857 0.77 RORC (0.41) LMNAMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3542640 0.77 HTR2A (0.38) CNR1LMNAHTR2AHTR2C

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 BCHE 2959/4885ACHE 869/4885MAPT 1588/4885

“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.