SCHEMBL3545279

SCHEMBL3545279

O=[N+]([O-])c1cc2c3c(c1)c1c(n3CC2)CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.42
HTR2A P28223 5/20 0.42
ACHE P22303 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
GFER P55789 1/20 0.37
APP P05067 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
SCHEMBL3549563 1.00 HTR2C (0.42) HTR2CHTR2AACHEKMT2AMEN1
SCHEMBL3545521 0.93 HTR2C (0.41) HTR2CHTR2AACHEKMT2AMEN1
SCHEMBL3546198 0.92 HTR2C (0.42) HTR2CHTR2AACHEKMT2AMEN1
SCHEMBL3544773 0.76 HTR2C (0.47) HTR2CHTR2AKMT2AMEN1MAPT
SCHEMBL3547592 0.75 KMT2A (0.39) HTR2CACHEKMT2AMEN1MAPT
SCHEMBL13501877 0.73 CYP19A1 (0.37) HTR2AKMT2AMEN1MAPTKDM4E
SCHEMBL6753276 0.68 KMT2A (0.38) ACHEKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3540885 0.67 HTR2C (0.47) HTR2CHTR2AKMT2AMEN1MAPT
SCHEMBL3543857 0.65 RORC (0.41) HTR2CHTR2AKMT2AMEN1KDM4E
SCHEMBL3542640 0.65 HTR2A (0.38) HTR2CHTR2A

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 6 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 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 HTR2C 223/4885HTR2A 267/4885ACHE 869/4885

“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.