SCHEMBL15618331

SCHEMBL15618331

CN(C)CCC(Oc1ccc(N=C=S)cn1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.48
HRH3 Q9Y5N1 6/20 0.48
SLC6A2 P23975 2/20 0.41
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
CHRM2 P08172 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 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
SCHEMBL15618230 0.78 SLC6A4 (0.48) SLC6A4HRH3SLC6A2HTR2AHRH1
SCHEMBL15618267 0.75 MAPT (0.48) SLC6A4HRH3
SCHEMBL11236550 0.75 SLC6A4 (0.56) SLC6A4HRH3SLC6A2HTR2AHRH1
SCHEMBL11226530 0.72 SLC6A4 (0.49) SLC6A4HRH3SLC6A2HTR2AHRH1
SCHEMBL11709823 0.72 ALDH1A1 (0.42)
SCHEMBL7158810 0.71 SLC6A4 (0.73) SLC6A4HRH3SLC6A2HTR2AHRH1
SCHEMBL15618262 0.71 UTS2R (0.44) SLC6A4HRH3
SCHEMBL15618236 0.69 SLC6A4 (0.49) SLC6A4HRH3SLC6A2HTR2AHRH1
SCHEMBL11710902 0.69 MIF (0.44) SLC6A2
SCHEMBL5270870 0.69 SLC6A4 (0.70) SLC6A4HRH3SLC6A2HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014046544-A1 SUBSTITUTED 3-HETEROARYLOXY-3-(HETERO)ARYL-PROPYLAMINES AS SEROTONIN TRANSPORTER AND SEROTONIN HT2C RECEPTOR MODULATORS AAPA B.V. (NL) 2014-03-27 WO disclosed
US-20100113606-A1 AMINOPROPANOL MODULATORS OF BETA-1 ADRENERGIC RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-06 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 (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-20100113606-A1 AMINOPROPANOL MODULATORS OF BETA-1 ADRENERGIC RECEPTOR ADRB1, ADRB2, ADRB3 SLC6A4 629/4885HRH3 380/4885SLC6A2 169/4885

“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.