SCHEMBL13935

SCHEMBL13935

Cc1cccc(CCC(C)CN)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.61
IDO1 P14902 2/20 0.46
HRH3 Q9Y5N1 1/20 0.44
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
DAO P14920 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN4A P35499 4/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL24233911 0.90 TAAR1 (0.58) TAAR1IDO1HRH3DAOALDH1A1
SCHEMBL12075393 0.82 TAAR1 (0.39) TAAR1SCN4A
SCHEMBL17340944 0.81 TAAR1 (0.60) TAAR1IDO1HRH3MAPTGAA
SCHEMBL3056983 0.81 TAAR1 (0.59) TAAR1IDO1HRH3MAPTGAA
SCHEMBL14175 0.81 TAAR1 (0.59) TAAR1IDO1HRH3MAPTGAA
SCHEMBL23641531 0.81 TAAR1 (0.38) TAAR1IDO1MAPTALOX12HTT
SCHEMBL14483 0.81 TAAR1 (0.59) TAAR1IDO1HRH3MAPTGAA
SCHEMBL4990870 0.80 TAAR1 (0.46) TAAR1MAPTMEN1KMT2ADAO
SCHEMBL21868801 0.79 TAAR1 (0.62) TAAR1IDO1HRH3DAO
SCHEMBL13530947 0.79 TAAR1 (0.50) TAAR1

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.