SCHEMBL3545321

SCHEMBL3545321

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.43
HTR2A P28223 4/20 0.43
ACHE P22303 2/20 0.40
ALDH1A1 P00352 2/20 0.40
APP P05067 1/20 0.39
BCHE P06276 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3546868 0.93 HTR2C (0.43) HTR2CHTR2AACHEALDH1A1APP
SCHEMBL3546317 0.86 HTR2C (0.40) HTR2CHTR2AACHEALDH1A1BCHE
SCHEMBL3551076 0.86 CNR2 (0.41) HTR2CHTR2AKDM4EMEN1KMT2A
SCHEMBL3546454 0.84 KCNQ2 (0.41) HTR2CHTR2A
SCHEMBL3546473 0.83 RORC (0.41) HTR2CHTR2AALDH1A1KDM4EMEN1
SCHEMBL3545018 0.83 KCNQ2 (0.40) HTR2CHTR2AGAA
SCHEMBL3539382 0.82 BCHE (0.40) HTR2CHTR2AACHEALDH1A1BCHE
SCHEMBL3540203 0.82 BCHE (0.39) HTR2CHTR2AACHEALDH1A1BCHE
SCHEMBL3546148 0.81 ACHE (0.40) HTR2CHTR2AACHEALDH1A1APP
SCHEMBL3545630 0.78 NPC1 (0.52) ALDH1A1KDM4EMEN1KMT2AMAPK1

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 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-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.