SCHEMBL3852585

SCHEMBL3852585

Cc1c(-c2ccccc2)n(Cc2ccccc2)c2cc(-c3ccc(OCC#N)cc3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.48
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
GRIK2 Q13002 2/20 0.41
PDE6D O43924 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR2 Q92731 2/20 0.39
MLNR O43193 1/20 0.39
ABCB11 O95342 1/20 0.39
NR3C1 P04150 1/20 0.39

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
SCHEMBL3858272 0.92 ESR1 (0.51) ESR1GRIK2ESR2MLNRABCB11
SCHEMBL3853542 0.84 GRIK2 (0.56) ESR1GRIK2ALDH1A1TP53MAPT
SCHEMBL12960217 0.83 ESR1 (0.53) ESR1GRIK2ESR2MLNRABCB11
SCHEMBL3854882 0.83 PLA2G2A (0.49) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL635273 0.82 ESR1 (0.52) ESR1MAPTNPSR1ESR2MLNR
Water SCHEMBL27846125 0.81 ESR1 (0.50) ESR1MAPTNPSR1ESR2MLNR
SCHEMBL12960214 0.81 ESR1 (0.50) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL3853126 0.81 MAPT (0.48) ALDH1A1MAPTNPSR1
SCHEMBL3854951 0.81 ESR1 (0.46) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL3856500 0.80 ESR1 (0.44) ESR1PDE6DALDH1A1TP53MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US disclosed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 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-20050070592-A1 Substituted phenyl indoles TPH2, IDO2, AANAT ESR1 1756/4885PSEN1 2526/4885PSEN2 1065/4885

“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.