SCHEMBL14175

SCHEMBL14175

Cc1cccc(CCC(O)CN)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
IDO1 P14902 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42
DAO P14920 2/20 0.41
NR3C2 P08235 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
XIAP P98170 1/20 0.38
TSHR P16473 1/20 0.38
STAT3 P40763 1/20 0.38

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
SCHEMBL3631399 0.84 TAAR1 (0.52) TAAR1IDO1HRH3DAONR3C2
SCHEMBL12075397 0.83 PTGFR (0.44) TAAR1TSHRSTAT3
SCHEMBL14483 0.83 TAAR1 (0.59) TAAR1IDO1HRH3DAONR3C2
SCHEMBL109762 0.83 TAAR1 (0.50) TAAR1IDO1HRH3DAOGPR84
SCHEMBL13935 0.81 TAAR1 (0.61) TAAR1IDO1HRH3DAOMEN1
SCHEMBL7794272 0.81 DRD2 (0.61) TAAR1MAPTKMT2A
SCHEMBL10409369 0.80 TAAR1 (0.55) TAAR1IDO1HRH3DAOGPR84
SCHEMBL12061424 0.79 BCHE (0.46) TAAR1STAT3
SCHEMBL23530305 0.79 TAAR1 (0.53) TAAR1IDO1HRH3DAONR3C2
SCHEMBL21868801 0.78 TAAR1 (0.62) TAAR1IDO1HRH3DAOGPR84

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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT TAAR1 4463/4885IDO1 1215/4885HRH3 3537/4885

“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.