SCHEMBL6987351

SCHEMBL6987351

CCCCc1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.77
HTR1D P28221 10/20 0.75
TRPM8 Q7Z2W7 3/20 0.73
KDM4E B2RXH2 2/20 0.73
MAPT P10636 2/20 0.73
LTA4H P09960 4/20 0.72
PLA2G2A P14555 4/20 0.72
POLB P06746 1/20 0.65
HTR1A P08908 7/20 0.63
HTR1B P28222 7/20 0.63
MEN1 O00255 1/20 0.58
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
KMT2A Q03164 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
HTR2A P28223 1/20 0.58

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
SCHEMBL6982859 0.96 SLC6A4 (0.75) SLC6A4HTR1DTRPM8KDM4EMAPT
SCHEMBL6986137 0.95 SLC6A4 (0.73) SLC6A4HTR1DTRPM8KDM4EMAPT
SCHEMBL6988545 0.92 HTR1D (0.78) SLC6A4HTR1DTRPM8KDM4EMAPT
SCHEMBL2007192 0.87 TRPM8 (0.72) SLC6A4HTR1DTRPM8KDM4EMAPT
SCHEMBL24183121 0.86 HTR1D (0.69) SLC6A4HTR1DTRPM8KDM4EMAPT
SCHEMBL20405632 0.86 HTR1D (0.69) SLC6A4HTR1DTRPM8KDM4EMAPT
SCHEMBL6388022 0.85 POLB (0.78) SLC6A4HTR1DTRPM8KDM4EMAPT
SCHEMBL27406721 0.85 TRPM8 (0.77) SLC6A4HTR1DTRPM8KDM4EMAPT
5-Benzyloxytryptamine SCHEMBL29785061 0.85 TRPM8 (1.00) SLC6A4HTR1DTRPM8KDM4EMAPT
SCHEMBL959573 0.85 TRPM8 (0.77) SLC6A4HTR1DTRPM8KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid METHYLGENE INC. (CA) 2008-06-05 US disclosed
EP-1268422-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 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-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid DNMT3B, DNMT1, DNMT3L SLC6A4 2343/4885HTR1D 1899/4885TRPM8 4765/4885

“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.