SCHEMBL5243103

SCHEMBL5243103

c1cc(OCCN2CCCC2)c2cc[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.58
SLC6A4 P31645 2/20 0.58
HTR1B P28222 1/20 0.56
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
LTA4H P09960 1/20 0.52
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
HRH3 Q9Y5N1 4/20 0.49
HTR2A P28223 2/20 0.49
HTR7 P34969 2/20 0.49

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
SCHEMBL29062924 0.88 HTR1A (0.55) HTR1ASLC6A4HTR1BADRA1DADRA1A
SCHEMBL14358832 0.87 HTR1A (0.55) HTR1ASLC6A4HTR1BADRA1DADRA1A
SCHEMBL10733985 0.85 PRKCQ (0.54) HTR1ASLC6A4TDP1LTA4HTSHR
SCHEMBL10733983 0.85 PRKCQ (0.54) HTR1ASLC6A4TDP1LTA4HTSHR
SCHEMBL10730125 0.85 HRH1 (0.54) HTR1ASLC6A4TDP1LTA4HTSHR
SCHEMBL14359417 0.83 HTR1A (0.52) HTR1ASLC6A4HTR1BADRA1DADRA1A
SCHEMBL14358990 0.83 HTR1A (0.54) HTR1ASLC6A4HTR1BADRA1DADRA1A
SCHEMBL10571481 0.83 HRH1 (0.52) HTR1ASLC6A4TDP1TSHRMEN1
SCHEMBL14358956 0.82 HTR1A (0.53) HTR1ASLC6A4HTR1BADRA1DADRA1A
SCHEMBL6575982 0.80 TSHR (0.60) HTR1ASLC6A4ADRA1DTDP1TSHR

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
EP-1569638-B1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-05 EP disclosed
EP-1569638-B1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-05 EP disclosed
US-7084169-B2 Aminoalkoxyindoles and methods of use ROCHE PALO ALTO LLC (US) 2006-08-01 US disclosed
EP-1569638-A1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
US-20040132799-A1 Aminoalkoxyindoles and methods of use ROCHE PALO ALTO LLC (US) 2004-07-08 US disclosed
WO-2004050085-A1 AMINOALKOXYINDOLES AS 5-HT6-RECEPTOR LIGANDS FOR THE TREATMENT OF CNS-DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 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-20040132799-A1 Aminoalkoxyindoles and methods of use HTR3C, HTR2C, CYP3A5 HTR1A 16/4885SLC6A4 64/4885HTR1B 26/4885

“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.