SCHEMBL4899580

SCHEMBL4899580

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.54
HTR1B P28222 2/20 0.54
HTR1D P28221 1/20 0.54
VPS4B O75351 1/20 0.52
VCP P55072 1/20 0.52
HTR1F P30939 1/20 0.52
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
HTR1E P28566 1/20 0.50
HTR7 P34969 1/20 0.50
OPRM1 P35372 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SLC6A4 P31645 1/20 0.49
RB1 P06400 1/20 0.49
KMT2A Q03164 1/20 0.49
BRD3 Q15059 1/20 0.48
BAZ2B Q9UIF8 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
SCHEMBL2429520 1.00 HTR1A (0.54) HTR1AHTR1BHTR1DVPS4BVCP
SCHEMBL1877210 0.87 HTR1A (0.54) HTR1AHTR1BHTR1DVPS4BVCP
SCHEMBL16026868 0.86 HTR1A (0.58) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL16026808 0.85 SIRT1 (0.54) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL16026774 0.85 HTR1B (0.51) HTR1AHTR1BHTR1DHTR1FDRD2
SCHEMBL1899834 0.84 HTR1A (0.51) HTR1AHTR1BHTR1DVPS4BVCP
SCHEMBL1903598 0.84 HTR1A (0.51) HTR1AHTR1BHTR1DVPS4BVCP
SCHEMBL1899835 0.84 HTR1A (0.51) HTR1AHTR1BHTR1DVPS4BVCP
SCHEMBL16026816 0.82 HTR1B (0.62) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL1903534 0.82 ACHE (0.51) HTR1AHTR1BHTR1DVPS4BVCP

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 HTR1A 10/4885HTR1B 19/4885HTR1D 18/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C HTR1A 10/4885HTR1B 19/4885HTR1D 18/4885

“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.