SCHEMBL3547244

SCHEMBL3547244

O=C(CCc1ccccc1)Nc1cc2c3c(c1)c1c(n3CCC2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 3/20 0.46
MAPK14 Q16539 1/20 0.44
HTT P42858 2/20 0.43
CSF1R P07333 1/20 0.43
EPHX2 P34913 1/20 0.43
PARP1 P09874 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.42
NAMPT P43490 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
FLT3 P36888 1/20 0.40

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
SCHEMBL3546473 0.80 RORC (0.41) SMN1; SMN2GAAMEN1ALDH1A1KMT2A
SCHEMBL3545018 0.80 KCNQ2 (0.40) GAA
SCHEMBL3546454 0.79 KCNQ2 (0.41)
SCHEMBL3540288 0.78 RAB9A (0.39) MAPTNPC1SMN1; SMN2GAAHTT
SCHEMBL3545321 0.78 HTR2C (0.43) MAPTSMN1; SMN2GAAMEN1ALDH1A1
SCHEMBL3542109 0.76 GBA1 (0.43) MAPTNPC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL3551076 0.76 CNR2 (0.41) MAPTGAAMEN1KMT2A
SCHEMBL3862240 0.69 MAPT (0.53) MAPTNPC1SMN1; SMN2GAAHTT
SCHEMBL3862304 0.69 MAPT (0.53) MAPTNPC1SMN1; SMN2GAAHTT
SCHEMBL3550600 0.68 HTR2C (0.68) MAPTMEN1ALDH1A1KMT2A

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 MAPT 1588/4885NPC1 873/4885SMN1; SMN2 4464/4885

“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.