SCHEMBL4899779

SCHEMBL4899779

NC(=O)[C@H]1CCc2[nH]c3ccc(F)cc3c2C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.60
HTR1B P28222 2/20 0.55
BAZ2B Q9UIF8 1/20 0.51
HTR1A P08908 4/20 0.51
HTR1D P28221 1/20 0.51
SLC6A4 P31645 1/20 0.49
VPS4B O75351 1/20 0.49
VCP P55072 1/20 0.49
HTR1F P30939 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
BRD3 Q15059 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL4903633 1.00 SIRT1 (0.60) SIRT1HTR1BBAZ2BHTR1AHTR1D
SCHEMBL4897652 0.90 HTR1B (0.52) SIRT1HTR1BBAZ2BHTR1AHTR1D
SCHEMBL4899304 0.90 HTR1B (0.52) SIRT1HTR1BBAZ2BHTR1AHTR1D
SCHEMBL4895910 0.90 HTR1B (0.52) SIRT1HTR1BBAZ2BHTR1AHTR1D
SCHEMBL14880207 0.85 KMT2A (0.54) HTR1BBAZ2BHTR1AHTR1DSLC6A4
SCHEMBL25658274 0.84 SIRT1 (0.60) SIRT1HTR1BHTR1AHTR1DKMT2A
SCHEMBL4905956 0.84 SIRT1 (0.83) SIRT1HTR1BBAZ2BHTR1AHTR1D
SCHEMBL4895642 0.82 KMT2A (0.51) HTR1BBAZ2BHTR1AHTR1DSLC6A4
SCHEMBL4905179 0.81 SIRT1 (0.54) SIRT1HTR1BHTR1AHTR1DKMT2A
SCHEMBL833781 0.81 HTR1B (0.65) HTR1BBAZ2BHTR1AHTR1DSLC6A4

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 12 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 claimed
EP-1856126-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-11-21 EP claimed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 US claimed
WO-2006089053-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2006-08-24 WO claimed
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
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-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 389/4885HTR1B 19/4885BAZ2B 1315/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C SIRT1 389/4885HTR1B 19/4885BAZ2B 1315/4885

“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.