SCHEMBL13533372

SCHEMBL13533372

CC(C)CCCOc1cccc2c1OCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.43
HTR1A P08908 1/20 0.43
MTNR1A P48039 4/20 0.42
MCHR1 Q99705 1/20 0.38
SLC6A2 P23975 2/20 0.38
HRH1 P35367 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PARP1 P09874 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PPIA P62937 1/20 0.35
SRC P12931 1/20 0.35
HDAC3 O15379 4/20 0.34
HDAC4 P56524 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC7 Q8WUI4 4/20 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
SCHEMBL13533397 0.93 MCHR1 (0.45) SLC6A4HTR1AMTNR1AMCHR1SLC6A2
SCHEMBL13533385 0.84 PARP1 (0.41) SLC6A4HTR1AMTNR1ASLC6A2HRH1
SCHEMBL13534211 0.84 SLC6A4 (0.45) SLC6A4HTR1AMTNR1AMCHR1SLC6A2
SCHEMBL13533375 0.82 MTNR1A (0.60) SLC6A4HTR1AMTNR1AMCHR1NFKB1
SCHEMBL31561756 0.79 SLC6A4 (0.43) SLC6A4HTR1AMTNR1ASLC6A2HRH1
SCHEMBL7827780 0.79 SLC6A4 (0.43) SLC6A4HTR1AMTNR1ASLC6A2HRH1
SCHEMBL4191964 0.79 KDM4E (0.47) SLC6A4HTR1AMTNR1ASLC6A2HRH1
SCHEMBL13533370 0.79 MTNR1A (0.56) SLC6A4HTR1AMTNR1AMCHR1
SCHEMBL13533373 0.75 MTNR1A (0.49) SLC6A4HTR1AMTNR1AMCHR1HTT
SCHEMBL13197080 0.75 MTNR1A (0.59) SLC6A4HTR1AMTNR1AMCHR1HTT

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 1 patent. 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

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 SLC6A4 60/4885HTR1A 7/4885MTNR1A 24/4885

“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.