SCHEMBL4906049

SCHEMBL4906049

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.43
AR P10275 3/20 0.40
HTR1B P28222 3/20 0.38
KMT2A Q03164 1/20 0.38
CDK2 P24941 1/20 0.37
FLT3 P36888 1/20 0.37
CCNA1 P78396 1/20 0.37
NOTUM Q6P988 2/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR1E P28566 1/20 0.36
HTR7 P34969 1/20 0.36
OPRM1 P35372 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
HTR1D P28221 1/20 0.36
CYP1A2 P05177 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35

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
SCHEMBL11678072 0.90 SIRT1 (0.48) SIRT1ARCDK2FLT3CCNA1
SCHEMBL4902968 0.90 SIRT1 (0.54) SIRT1ARHTR1BKMT2AHTR1A
SCHEMBL4895997 0.87 SIRT1 (0.44) SIRT1ARHTR1BKMT2ACDK2
SCHEMBL14040261 0.78 AR (0.42) SIRT1ARHTR1BKMT2AGRIN2D
SCHEMBL11682366 0.77 SIRT1 (0.46) SIRT1ARKMT2ACDK2FLT3
SCHEMBL4909034 0.77 SIRT1 (0.55) SIRT1ARHTR1BKMT2AHTR1A
SCHEMBL4897542 0.76 SIRT1 (0.67) SIRT1HTR1BKMT2AHTR1AHTR1D
SCHEMBL11838704 0.76 CTSK (0.40) SIRT1HTR1BKMT2ACDK2FLT3
SCHEMBL4902826 0.76 AR (0.39) SIRT1ARHTR1BHTR1AHTR1D
SCHEMBL20602071 0.76 AR (0.42) ARHTR1BKMT2AHTR1AHTR1D

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.