SCHEMBL3540288

SCHEMBL3540288

CCCCC(=O)Nc1cc2c3c(c1)c1c(n3CC2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
TP53 P04637 3/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
NAMPT P43490 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 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
SCHEMBL3541848 0.97 MAPT (0.40) RAB9ATP53ALDH1A1NPC1SMN1; SMN2
SCHEMBL3539295 0.96 CNR1 (0.41) ALDH1A1NPC1SMN1; SMN2NAMPTKMT2A
SCHEMBL3540203 0.95 BCHE (0.39) RAB9ATP53HPGDALDH1A1CYP1A2
SCHEMBL3543021 0.92 BCHE (0.40) RAB9ATP53ALDH1A1NPC1SMN1; SMN2
SCHEMBL3539382 0.91 BCHE (0.40) RAB9AALDH1A1NPC1SMN1; SMN2HTR2A
SCHEMBL3543857 0.84 RORC (0.41) RAB9ATP53ALDH1A1SMN1; SMN2HTR2A
SCHEMBL3542640 0.84 HTR2A (0.38) HTR2AHTR2CLMNAGAA
SCHEMBL3546317 0.84 HTR2C (0.40) RAB9AHPGDALDH1A1SMN1; SMN2HTR2A
SCHEMBL3542109 0.83 GBA1 (0.43) RAB9ATP53HPGDALDH1A1CYP1A2
SCHEMBL3546868 0.83 HTR2C (0.43) TP53ALDH1A1CYP1A2CYP2D6CYP2C9

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 RAB9A 3548/4885TP53 4395/4885HPGD 1689/4885

“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.