SCHEMBL4870876

SCHEMBL4870876

O=c1n(CCCCCl)nc2ccccn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.56
DRD2 P14416 11/20 0.56
HTR2A P28223 11/20 0.56
HTR7 P34969 8/20 0.56
HTR6 P50406 8/20 0.56
KCNH2 Q12809 4/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
SLC6A4 P31645 2/20 0.54
ADRA1A P35348 2/20 0.54
HRH1 P35367 2/20 0.54
ABCB11 O95342 1/20 0.54
LMNA P02545 1/20 0.54
ADRA2A P08913 1/20 0.54
CYP2D6 P10635 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD1 P21728 1/20 0.54

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
SCHEMBL268805 0.95 HTR1A (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5669383 0.89 HTR1A (0.51) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL3521966 0.85 DRD2 (0.53) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL267903 0.85 HTR1A (0.49) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL267610 0.83 HTR1A (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL3517324 0.83 HTR1A (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4350205 0.81 HTR1A (0.50) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL20456303 0.80 HTR1A (0.48) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9379524 0.80 HTR1A (0.48) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL8242911 0.80 HTR1A (0.48) HTR1ADRD2HTR2AHTR7HTR6

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 HTR1A 3/4885DRD2 25/4885HTR2A 11/4885
US-20050239775-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A HTR1A 3/4885DRD2 23/4885HTR2A 11/4885
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A HTR1A 3/4885DRD2 23/4885HTR2A 11/4885

“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.