SCHEMBL4909034

SCHEMBL4909034

NC(=O)C1CCc2[nH]c3ccc(F)c(Cl)c3c2C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 10/20 0.55
AR P10275 1/20 0.40
HTR1B P28222 2/20 0.39
HTR1A P08908 2/20 0.37
HTR1D P28221 1/20 0.37
SIRT2 Q8IXJ6 3/20 0.36
SIRT3 Q9NTG7 2/20 0.36
MKNK1 Q9BUB5 1/20 0.35
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A4 P31645 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
SCHEMBL4895997 0.90 SIRT1 (0.44) SIRT1ARHTR1BHTR1AHTR1D
SCHEMBL4902968 0.87 SIRT1 (0.54) SIRT1ARHTR1BHTR1AHTR1D
SCHEMBL4901767 0.79 AR (0.39) SIRT1ARHTR1BHTR1AHTR1D
SCHEMBL4906049 0.77 SIRT1 (0.43) SIRT1ARHTR1BHTR1AHTR1D
SCHEMBL4905956 0.77 SIRT1 (0.83) SIRT1HTR1BHTR1AHTR1DSIRT2
SCHEMBL4898455 0.75 SIRT1 (0.55) SIRT1ARHTR1BHTR1AHTR1D
SCHEMBL4903633 0.74 SIRT1 (0.60) SIRT1HTR1BHTR1AHTR1DKMT2A
SCHEMBL4899779 0.74 SIRT1 (0.60) SIRT1HTR1BHTR1AHTR1DKMT2A
SCHEMBL4725031 0.74 SIRT1 (0.63) SIRT1ARSIRT2SIRT3KMT2A
SCHEMBL5026464 0.72 AR (0.52) ARKMT2AMAPTALOX15MAPK1

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 SIRT1 389/4885AR 933/4885HTR1B 19/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C SIRT1 389/4885AR 933/4885HTR1B 19/4885

“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.