SCHEMBL3539007

SCHEMBL3539007

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.38
HPGD P15428 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 5/20 0.35
HTR2C P28335 2/20 0.33
BRD4 O60885 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
MAPK1 P28482 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 1/20 0.30
HTR2A P28223 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30

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
SCHEMBL3540885 0.80 HTR2C (0.47) LIPGHPGDALDH1A1HSD17B10USP2
SCHEMBL3547592 0.79 KMT2A (0.39) HPGDALDH1A1HSD17B10USP2HTR2C
SCHEMBL3539298 0.78 HTR2C (0.46) LIPGHPGDALDH1A1HSD17B10USP2
SCHEMBL3547101 0.71 KCNQ2 (0.39)
SCHEMBL13501879 0.71 KCNQ2 (0.39) LMNAGAA
SCHEMBL3542971 0.71 HTR2C (0.47) LIPGHSD17B10KDM4EHTR2CMAPK1
SCHEMBL3544773 0.71 HTR2C (0.47) LIPGHSD17B10KDM4EHTR2CMAPK1
SCHEMBL3546198 0.60 HTR2C (0.42) HPGDALDH1A1HSD17B10USP2KDM4E
SCHEMBL12179558 0.58 MEN1 (0.41) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL13501876 0.58 HTR1A (0.35) HTR2A

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 LIPG 4649/4885HPGD 1689/4885ALDH1A1 1546/4885

“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.