SCHEMBL13533397

SCHEMBL13533397

CC(C)CCOc1cccc2c1OCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.45
HTT P42858 1/20 0.44
SLC6A4 P31645 3/20 0.41
HTR1A P08908 1/20 0.41
MTNR1A P48039 4/20 0.41
SLC6A2 P23975 2/20 0.39
PARP1 P09874 1/20 0.39
HRH1 P35367 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.37
TLR8 Q9NR97 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13533372 0.93 SLC6A4 (0.43) MCHR1HTTSLC6A4HTR1AMTNR1A
SCHEMBL13533385 0.85 PARP1 (0.41) SLC6A4HTR1AMTNR1ASLC6A2PARP1
SCHEMBL13534211 0.82 SLC6A4 (0.45) MCHR1HTTSLC6A4HTR1AMTNR1A
SCHEMBL13197080 0.82 MTNR1A (0.59) MCHR1HTTSLC6A4HTR1AMTNR1A
SCHEMBL4191964 0.80 KDM4E (0.47) SLC6A4HTR1AMTNR1ASLC6A2PARP1
SCHEMBL7827780 0.80 SLC6A4 (0.43) SLC6A4HTR1AMTNR1ASLC6A2PARP1
SCHEMBL31561756 0.80 SLC6A4 (0.43) SLC6A4HTR1AMTNR1ASLC6A2PARP1
SCHEMBL13533395 0.78 MTNR1A (0.55) MCHR1HTTSLC6A4HTR1AMTNR1A
SCHEMBL13533396 0.75 MTNR1A (0.48) MCHR1HTTSLC6A4HTR1AMTNR1A
SCHEMBL13533375 0.75 MTNR1A (0.60) MCHR1SLC6A4HTR1AMTNR1A

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 MCHR1 126/4885HTT 497/4885SLC6A4 60/4885

“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.