SCHEMBL4872709

SCHEMBL4872709

COc1cc2ncn(CCCN3C=CC(c4c[nH]c5ccccc45)=CC3)c(=O)c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HTR1A P08908 2/20 0.43
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
PDGFRB P09619 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PDGFRA P16234 1/20 0.40
ADRA1B P35368 2/20 0.39
ADRA1A P35348 1/20 0.39
ELANE P08246 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL4872140 0.81 DRD2 (0.54) HTR1ADRD2
SCHEMBL4873344 0.79 DRD2 (0.56) HTR1ADRD2
SCHEMBL4868630 0.77 HTR1A (0.55) HTR1ADRD2DRD3
SCHEMBL4870640 0.76 HTR1A (0.54) HTR1ADRD2DRD3
SCHEMBL4871668 0.74 ADRA1D (0.54) HTR1ADRD2
SCHEMBL4913617 0.73 ADRA1D (0.53) HTR1ADRD2DRD3
SCHEMBL4872356 0.71 DRD2 (0.58) HTR1ADRD2DRD3
SCHEMBL4872113 0.71 ADRA1A (0.55) HTR1ADRD2ADRA1BADRA1A
SCHEMBL4873272 0.68 HDAC6 (0.68) TNFHDAC6HTR1ADRD2DRD3
SCHEMBL4869010 0.67 HTR1A (0.55) HTR1ADRD2DRD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 TNF 4024/4885HDAC6 500/4885HTR1A 3/4885
US-20050239775-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A TNF 3774/4885HDAC6 886/4885HTR1A 3/4885
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A TNF 3774/4885HDAC6 886/4885HTR1A 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.