SCHEMBL13036282

SCHEMBL13036282

COc1ccc(CO[C@H](c2ccc(F)c(F)c2)[C@H](c2ccc(F)cc2)N2CCCC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.41
FFAR1 O14842 1/20 0.39
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35

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
SCHEMBL13036285 1.00 TACR1 (0.41) TACR1FFAR1MAPTKDM4EMEN1
SCHEMBL13084643 1.00 TACR1 (0.41) TACR1FFAR1MAPTKDM4EMEN1
SCHEMBL13036401 0.93 TACR1 (0.44) TACR1FFAR1MAPTKDM4EMEN1
SCHEMBL13036402 0.93 TACR1 (0.44) TACR1FFAR1MAPTKDM4EMEN1
SCHEMBL13036404 0.89 FFAR1 (0.41) TACR1FFAR1MAPTMEN1CYP1A2
SCHEMBL13036403 0.89 FFAR1 (0.41) TACR1FFAR1MAPTMEN1CYP1A2
SCHEMBL13084688 0.89 NPSR1 (0.35) MAPTTHRBBLM
SCHEMBL13036417 0.89 NPSR1 (0.35) MAPTTHRBBLM
SCHEMBL13036416 0.89 NPSR1 (0.35) MAPTTHRBBLM
SCHEMBL13036366 0.87 IDO1 (0.38) MAPTKDM4ETHRBRECQLALDH1A1

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-7825264-B2 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-20080188520-A1 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2008-08-07 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-20080188520-A1 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them KCNH1, MLLT3, CYP1A2 TACR1 436/4885FFAR1 1718/4885MAPT 4766/4885

“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.