SCHEMBL4905974

SCHEMBL4905974

Fc1ccc2[nH]c3c(c2c1)C[C@@H](CNC[C@H]1COc2ccc4ncccc4c2O1)CC3

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.60
DRD2 P14416 12/20 0.60
HTR2B P41595 4/20 0.60
HTR2A P28223 3/20 0.60
HTR1A P08908 6/20 0.48
VPS4B O75351 1/20 0.47
VCP P55072 1/20 0.47

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
SCHEMBL4906131 1.00 SLC6A4 (0.60) SLC6A4DRD2HTR2BHTR2AHTR1A
SCHEMBL4907059 0.91 SLC6A4 (0.62) SLC6A4DRD2HTR2BHTR2AHTR1A
SCHEMBL4904405 0.91 SLC6A4 (0.62) SLC6A4DRD2HTR2BHTR2AHTR1A
SCHEMBL5387925 0.89 SLC6A4 (0.47) SLC6A4DRD2HTR2BHTR2AHTR1A
SCHEMBL4904454 0.87 SLC6A4 (0.60) SLC6A4DRD2HTR2BHTR2AHTR1A
SCHEMBL4899330 0.87 SLC6A4 (0.60) SLC6A4DRD2HTR2BHTR2AHTR1A
SCHEMBL4902811 0.87 SLC6A4 (0.60) SLC6A4DRD2HTR2BHTR2AHTR1A
SCHEMBL4897995 0.87 SLC6A4 (0.60) SLC6A4DRD2HTR2BHTR2AHTR1A
SCHEMBL4903442 0.85 SLC6A4 (0.65) SLC6A4DRD2HTR2BHTR2AHTR1A
SCHEMBL4895761 0.85 SLC6A4 (0.65) SLC6A4DRD2HTR2BHTR2AHTR1A

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-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
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 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

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.