SCHEMBL4905747

SCHEMBL4905747

O=C1C=C2Nc3ccccc3C2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 5/20 0.40
CRBN Q96SW2 5/20 0.40
ALDH1A1 P00352 3/20 0.37
IDO1 P14902 2/20 0.35
NPC1 O15118 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
GSK3B P49841 1/20 0.32
MAPT P10636 2/20 0.32
FAAH O00519 1/20 0.31
PLA2G6 O60733 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL13735293 0.70 HTR5A (0.36) ALDH1A1IDO1PDE4APDE4BPDE4C
SCHEMBL3053841 0.70 DDB1 (0.65) DDB1CRBNALDH1A1NPC1MAPK13
SCHEMBL10756431 0.69 KDM1A (0.33) ALDH1A1IDO1
SCHEMBL8921094 0.68 LMNA (0.52) DDB1CRBNALDH1A1NPC1MAPK13
SCHEMBL8102823 0.68 DDB1 (0.48) DDB1CRBNALDH1A1NPC1MAPK13
SCHEMBL8922504 0.66 DDB1 (0.50) DDB1CRBNNPC1MAPK13MAPK12
SCHEMBL8920781 0.66 CRBN (0.52) DDB1CRBNALDH1A1NPC1MAPK13
SCHEMBL8920289 0.66 CRBN (0.50) DDB1CRBNALDH1A1NPC1MAPK13
SCHEMBL9430604 0.64 ADRA1A (0.40) IDO1
SCHEMBL9870247 0.64 TLR4 (0.38) IDO1NPC1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
EP-1856126-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-11-21 EP disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 US disclosed
WO-2006089053-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2006-08-24 WO 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 (2 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-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C DDB1 3083/4885CRBN 1354/4885ALDH1A1 437/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C DDB1 3083/4885CRBN 1354/4885ALDH1A1 437/4885

“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.