SCHEMBL4897995

SCHEMBL4897995

Cc1ccc2c3c(ccc2n1)OC[C@H](CNC[C@H]1CCc2[nH]c4ccc(F)cc4c2C1)O3

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.60
DRD2 P14416 11/20 0.60
HTR2B P41595 4/20 0.60
HTR2A P28223 3/20 0.60
VPS4B O75351 1/20 0.49
VCP P55072 1/20 0.49
HTR1A P08908 7/20 0.47
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL4899330 1.00 SLC6A4 (0.60) SLC6A4DRD2HTR2BHTR2AVPS4B
SCHEMBL4904454 1.00 SLC6A4 (0.60) SLC6A4DRD2HTR2BHTR2AVPS4B
SCHEMBL4902811 1.00 SLC6A4 (0.60) SLC6A4DRD2HTR2BHTR2AVPS4B
Fumaric Acid SCHEMBL4900029 0.95 DRD2 (0.57) SLC6A4DRD2HTR2BHTR2AVPS4B
Maleic Acid SCHEMBL4900020 0.95 DRD2 (0.57) SLC6A4DRD2HTR2BHTR2AVPS4B
SCHEMBL4903738 0.95 SLC6A4 (0.53) SLC6A4DRD2HTR2BHTR2AVPS4B
SCHEMBL4904197 0.94 SLC6A4 (0.60) SLC6A4DRD2HTR2BHTR2AVPS4B
SCHEMBL4905430 0.93 SLC6A4 (0.61) SLC6A4DRD2HTR2BHTR2AVPS4B
SCHEMBL14196480 0.93 SLC6A4 (0.61) SLC6A4DRD2HTR2BHTR2AVPS4B
SCHEMBL4907474 0.93 SLC6A4 (0.61) SLC6A4DRD2HTR2BHTR2AVPS4B

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 13 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-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US 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 SLC6A4 25/4885DRD2 147/4885HTR2B 16/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C SLC6A4 25/4885DRD2 147/4885HTR2B 16/4885

“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.