SCHEMBL3546317

SCHEMBL3546317

CCC(=O)Nc1cc2c3c(c1)c1c(n3CCC2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.40
HTR2A P28223 4/20 0.40
HTT P42858 1/20 0.39
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
RORC P51449 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 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
SCHEMBL3540203 0.89 BCHE (0.39) HTR2CHTR2ABCHEACHERAB9A
SCHEMBL3543021 0.88 BCHE (0.40) BCHEACHERAB9AMEN1MAPK1
SCHEMBL3545018 0.88 KCNQ2 (0.40) HTR2CHTR2ACNR1CNR2LMNA
SCHEMBL3546473 0.88 RORC (0.41) HTR2CHTR2ARAB9AMEN1KMT2A
SCHEMBL3539382 0.87 BCHE (0.40) HTR2CHTR2ABCHEACHERAB9A
SCHEMBL3546454 0.87 KCNQ2 (0.41) HTR2CHTR2ACNR1CNR2
SCHEMBL3545321 0.86 HTR2C (0.43) HTR2CHTR2ABCHEACHEMEN1
SCHEMBL3551076 0.84 CNR2 (0.41) HTR2CHTR2AMEN1MAPK1KMT2A
SCHEMBL3540288 0.84 RAB9A (0.39) HTR2CHTR2AHTTBCHEACHE
SCHEMBL3541848 0.83 MAPT (0.40) HTR2CHTR2ABCHEACHERAB9A

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 HTR2C 223/4885HTR2A 267/4885HTT 548/4885

“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.