SCHEMBL4897542

SCHEMBL4897542

O=C(O)C1CCc2[nH]c3ccc(Cl)cc3c2C1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 10/20 0.67
HTR1B P28222 2/20 0.52
MAPKAPK2 P49137 1/20 0.52
KMT2A Q03164 1/20 0.52
SIRT2 Q8IXJ6 3/20 0.51
SIRT3 Q9NTG7 2/20 0.51
BAZ2B Q9UIF8 2/20 0.51
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1869208 0.90 SIRT1 (0.79) SIRT1MAPKAPK2SIRT2SIRT3BAZ2B
SCHEMBL4905956 0.90 SIRT1 (0.83) SIRT1HTR1BKMT2ASIRT2SIRT3
SCHEMBL11680029 0.88 SIRT1 (0.77) SIRT1MAPKAPK2SIRT2SIRT3BAZ2B
SCHEMBL11680034 0.88 SIRT1 (0.77) SIRT1MAPKAPK2SIRT2SIRT3BAZ2B
Dimethylamine SCHEMBL11683926 0.85 SIRT1 (0.72) SIRT1MAPKAPK2BAZ2B
SCHEMBL11839880 0.85 HTR1B (0.50) SIRT1HTR1BKMT2AHTR1AHTR1D
SCHEMBL4899304 0.84 HTR1B (0.52) SIRT1HTR1BMAPKAPK2KMT2ABAZ2B
SCHEMBL4895910 0.84 HTR1B (0.52) SIRT1HTR1BMAPKAPK2KMT2ABAZ2B
SCHEMBL11845531 0.84 SIRT1 (0.55) SIRT1HTR1BKMT2ASIRT2BAZ2B
SCHEMBL4897652 0.84 HTR1B (0.52) SIRT1HTR1BMAPKAPK2KMT2ABAZ2B

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 6 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
US-3948939-A 9-Acyl-1,2,3,4-tetrahydrocarbazole-3 and 4-carboxylic acids STERLING DRUG INC. (US) 1976-04-06 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 (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 389/4885HTR1B 19/4885MAPKAPK2 2878/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C SIRT1 389/4885HTR1B 19/4885MAPKAPK2 2878/4885

“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.