SCHEMBL4872113

SCHEMBL4872113

COc1cc2ncn(CCN3CCC(c4c[nH]c5ccccc45)CC3)c(=O)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
HTR1A P08908 3/20 0.51
SLC6A4 P31645 3/20 0.51
ADRA1D P25100 3/20 0.48
DRD2 P14416 3/20 0.48
HTR7 P34969 3/20 0.48
HTR6 P50406 3/20 0.48
HTR2A P28223 2/20 0.48
CYP2D6 P10635 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
SCHEMBL4913617 0.95 ADRA1D (0.53) HTR1ASLC6A4ADRA1DDRD2HTR7
SCHEMBL4871668 0.95 ADRA1D (0.54) HTR1ASLC6A4ADRA1DDRD2HTR7
SCHEMBL4872035 0.86 ADRA1D (0.56) SLC6A4ADRA1DHTR7HTR2ACYP2D6
SCHEMBL4869161 0.79 ADRA1D (0.56) HTR1ASLC6A4ADRA1D
SCHEMBL4868630 0.79 HTR1A (0.55) HTR1ASLC6A4DRD2HTR2A
SCHEMBL4870640 0.78 HTR1A (0.54) HTR1ASLC6A4DRD2HTR2A
Tameridone SCHEMBL2109716 0.76 ADRA1D (0.51) ADRA1AADRA1BHTR1ASLC6A4ADRA1D
Tameridone SCHEMBL10869123 0.75 ADRA1D (0.52) ADRA1AADRA1BHTR1ASLC6A4ADRA1D
SCHEMBL14306777 0.75 ADRA1D (0.80) SLC6A4ADRA1DCYP2D6
SCHEMBL4872140 0.74 DRD2 (0.54) HTR1ASLC6A4DRD2HTR2A

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-6939870-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2005-09-06 US claimed
US-20040204402-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH 2004-10-14 US claimed
US-7332506-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2008-02-19 US disclosed
US-7332506-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2008-02-19 US disclosed
US-7332506-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2008-02-19 US disclosed
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2007-03-01 US disclosed
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2007-03-01 US disclosed
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2007-03-01 US disclosed
US-7148235-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2006-12-12 US disclosed
US-20050239775-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2005-10-27 US disclosed
US-6939870-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2005-09-06 US disclosed
US-20040204402-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH 2004-10-14 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 (3 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-20040204402-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A ADRA1A 148/4885ADRA1B 139/4885HTR1A 3/4885
US-20050239775-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A ADRA1A 178/4885ADRA1B 145/4885HTR1A 3/4885
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A ADRA1A 178/4885ADRA1B 145/4885HTR1A 3/4885

“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.