SCHEMBL3551076

SCHEMBL3551076

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.41
CNR1 P21554 3/20 0.41
HTR2C P28335 6/20 0.40
HTR2A P28223 4/20 0.40
MAPT P10636 3/20 0.37
USP2 O75604 1/20 0.35
USP14 P54578 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3545321 0.86 HTR2C (0.43) HTR2CHTR2AMAPTKDM4EMEN1
SCHEMBL3545018 0.86 KCNQ2 (0.40) CNR2CNR1HTR2CHTR2AGAA
SCHEMBL3546454 0.84 KCNQ2 (0.41) CNR2CNR1HTR2CHTR2A
SCHEMBL3546317 0.84 HTR2C (0.40) CNR2CNR1HTR2CHTR2AKDM4E
SCHEMBL3542640 0.82 HTR2A (0.38) CNR2CNR1HTR2CHTR2AGAA
SCHEMBL3541767 0.82 HTR2A (0.38) CNR2CNR1HTR2CHTR2AGAA
SCHEMBL3546473 0.81 RORC (0.41) HTR2CHTR2AKDM4EMEN1KMT2A
SCHEMBL3546577 0.81 LMNA (0.41) CNR2CNR1USP2KDM4EMEN1
SCHEMBL3540203 0.81 BCHE (0.39) HTR2CHTR2AMAPTKDM4EMEN1
SCHEMBL3538998 0.80 RORC (0.41) HTR2CHTR2AKDM4EMEN1KMT2A

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 7 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
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 CNR2 150/4885CNR1 161/4885HTR2C 223/4885

“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.