SCHEMBL13533385

SCHEMBL13533385

CC(C)COc1cccc2c1OCC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 3/20 0.40
HRH1 P35367 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTR2C P28335 2/20 0.40
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MTNR1A P48039 3/20 0.35
KCNH2 Q12809 1/20 0.34
CYP3A4 P08684 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FPR2 P25090 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL13533397 0.85 MCHR1 (0.45) PARP1SLC6A4SLC6A2HRH1SLC6A3
SCHEMBL13533372 0.84 SLC6A4 (0.43) PARP1SLC6A4SLC6A2HRH1SLC6A3
SCHEMBL13533389 0.79 MTNR1A (0.53) SLC6A4HTR2CHTR1AMTNR1A
SCHEMBL13534211 0.78 SLC6A4 (0.45) PARP1SLC6A4SLC6A2HRH1SLC6A3
SCHEMBL13533382 0.77 MTNR1A (0.48) SLC6A4HTR2CHTR1AALDH1A1GAA
SCHEMBL5785526 0.76 PARP1 (0.47) PARP1SLC6A4SLC6A2HRH1SLC6A3
SCHEMBL31561756 0.76 SLC6A4 (0.43) PARP1SLC6A4SLC6A2HRH1SLC6A3
SCHEMBL4191964 0.76 KDM4E (0.47) PARP1SLC6A4SLC6A2HRH1SLC6A3
SCHEMBL7827780 0.76 SLC6A4 (0.43) PARP1SLC6A4SLC6A2HRH1SLC6A3
SCHEMBL32660774 0.74 ADRB1 (0.54) SLC6A4SLC6A2HTR2CHTR1AHTR2A

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
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 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 (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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A PARP1 3192/4885SLC6A4 60/4885SLC6A2 187/4885

“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.