SCHEMBL1817642

SCHEMBL1817642

Cc1[nH]c2ccc(Cl)cc2c1CCN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 1.00
HTR7 P34969 4/20 1.00
ADRA2A P08913 1/20 1.00
ADRA2B P18089 1/20 1.00
ADRA2C P18825 1/20 1.00
HTR2B P41595 1/20 1.00
HTR1D P28221 3/20 0.66
HTR1A P08908 2/20 0.66
HTR1E P28566 2/20 0.66
HTR5A P47898 2/20 0.66
SLC6A2 P23975 1/20 0.66
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
MAPK1 P28482 4/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 3/20 0.51
ALDH1A1 P00352 3/20 0.51

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
SCHEMBL17829970 0.86 HTR6 (0.75) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL6235393 0.84 HTR6 (0.73) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL4656461 0.82 HTR6 (0.70) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL4657845 0.82 HTR6 (0.69) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL7140358 0.82 HTR6 (0.69) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL30867192 0.81 HTR7 (0.68) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL28750432 0.81 HTR6 (0.68) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL23657217 0.80 HTR6 (0.67) HTR6HTR7ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL892350 0.80 HTR6 (0.67) HTR6HTR7ADRA2AADRA2BADRA2C
SCHEMBL5766124 0.79 HTR6 (1.00) HTR6HTR7ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4683839-B2 2011-05-18 JP claimed
EP-1404317-B1 5-HALO-TRYPTAMINE DERIVATIVES USED AS LIGANDS OF THE 5-HT 6? AND/OR 5-HT 7? SEROTONIN RECEPTORS SIGMA TAU IND FARMACEUTI (IT) 2008-12-10 EP claimed
US-7098233-B2 5-halo-tryptamine derivatives used as ligands on the 5-HT6 and/or 5-HT7 serotonin receptors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-08-29 US claimed
US-20040235899-A1 5-halo-tryptamine derivatives used as ligands of the 5-ht6 and/or 5-ht7 serotonin receptors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-11-25 US claimed
EP-1404317-A1 5-HALO-TRYPTAMINE DERIVATIVES USED AS LIGANDS OF THE 5-HT 6? AND/OR 5-HT 7? SEROTONIN RECEPTORS Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-04-07 EP claimed
WO-2003000252-A1 5-HALO-TRYPTAMINE DERIVATIVES USED AS LIGANDS OF THE 5-HT6 AND/OR 5-HT7 SEROTONIN RECEPTORS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-01-03 WO claimed
EP-1404317-B1 5-HALO-TRYPTAMINE DERIVATIVES USED AS LIGANDS OF THE 5-HT 6? AND/OR 5-HT 7? SEROTONIN RECEPTORS SIGMA TAU IND FARMACEUTI (IT) 2008-12-10 EP disclosed
US-7098233-B2 5-halo-tryptamine derivatives used as ligands on the 5-HT6 and/or 5-HT7 serotonin receptors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-08-29 US disclosed
US-20040235899-A1 5-halo-tryptamine derivatives used as ligands of the 5-ht6 and/or 5-ht7 serotonin receptors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-11-25 US disclosed
EP-1404317-A1 5-HALO-TRYPTAMINE DERIVATIVES USED AS LIGANDS OF THE 5-HT 6? AND/OR 5-HT 7? SEROTONIN RECEPTORS Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-04-07 EP disclosed
WO-2003000252-A1 5-HALO-TRYPTAMINE DERIVATIVES USED AS LIGANDS OF THE 5-HT6 AND/OR 5-HT7 SEROTONIN RECEPTORS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-01-03 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 (1 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-20040235899-A1 5-halo-tryptamine derivatives used as ligands of the 5-ht6 and/or 5-ht7 serotonin receptors HTR7, HTR6, HTR1A HTR6 2/4885HTR7 1/4885ADRA2A 62/4885

“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.