SCHEMBL4656354

SCHEMBL4656354

CCc1[nH]c2ccc(Cl)cc2c1CCN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 8/20 0.58
HTR6 P50406 8/20 0.57
HTR2A P28223 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
HTR7 P34969 3/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR2B P41595 1/20 0.47
HTR1D P28221 3/20 0.46
HTR1A P08908 1/20 0.46
HTR2C P28335 1/20 0.46
HTR1E P28566 1/20 0.46
HTR5A P47898 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL13979604 0.88 SIRT1 (0.68) SIRT1HTR6HTR2AHTR7ADRA2A
SCHEMBL4656461 0.82 HTR6 (0.70) SIRT1HTR6HTR2AHTR7ADRA2A
SCHEMBL26989650 0.82 HTR6 (0.68) SIRT1HTR6HTR2ATRPM8HTR7
SCHEMBL28750432 0.81 HTR6 (0.68) SIRT1HTR6HTR2ATRPM8HTR7
Hydrochloric Acid SCHEMBL892350 0.80 HTR6 (0.67) SIRT1HTR6HTR2ATRPM8HTR7
SCHEMBL8691195 0.79 HTR6 (0.71) HTR6HTR2ATRPM8HTR7HTR1D
SCHEMBL8758888 0.78 SIRT1 (0.46) SIRT1HTR6HTR2ATRPM8HTR7
Cyanide SCHEMBL28561199 0.78 HTR6 (0.63) SIRT1HTR6HTR2ATRPM8HTR7
SCHEMBL3886866 0.78 HTR6 (0.63) HTR6HTR2AHTR7HTR1DHTR2C
Hydrochloric Acid SCHEMBL275390 0.76 HTR6 (0.61) HTR6HTR2AHTR7HTR1DHTR1A

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
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 SIRT1 3427/4885HTR6 2/4885HTR2A 17/4885

“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.