SCHEMBL13937

SCHEMBL13937

COc1ccc(C)c(CCCCN)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.53
ADRA1A P35348 1/20 0.53
HTR2A P28223 2/20 0.42
HTR1D P28221 2/20 0.42
HTR6 P50406 2/20 0.42
CYP1A2 P05177 2/20 0.42
HTR1A P08908 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HTR4 Q13639 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
IDO1 P14902 2/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL13255038 0.87 TAAR1 (0.68) TAAR1ADRA1AHTR2AHTR1DHTR6
SCHEMBL23153214 0.84 PTGS2 (0.44) TAAR1ADRA1A
SCHEMBL4868917 0.83 ESR1 (0.43) TAAR1ADRA1ACYP1A2MEN1KMT2A
SCHEMBL14853492 0.81 TAAR1 (0.51) TAAR1ADRA1AHTR2AHTR1DHTR6
SCHEMBL12330476 0.81 ESR1 (0.42) TAAR1ADRA1ACYP1A2MEN1KMT2A
SCHEMBL8295456 0.80 TAAR1 (0.52) TAAR1ADRA1AHTR2AIDO1AOC3
SCHEMBL4860396 0.79 ADRA1A (0.57) TAAR1ADRA1ACYP1A2
SCHEMBL14850093 0.79 TAAR1 (0.49) TAAR1ADRA1AHTR2AHTR1DHTR6
SCHEMBL13039484 0.78 ADRA1A (0.46) TAAR1ADRA1AHTR2AIDO1AOC3
SCHEMBL14154 0.78 TAAR1 (0.74) TAAR1HTR2AHTR1DCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
US-5576324-A Quinoline derivatives or salt thereof and remedy for cardiac diseases containing the same KOWA CO., LTD. (JP) 1996-11-19 US disclosed
EP-0638571-A1 QUINOLINE DERIVATIVE OR SALT THEREOF AND REMEDY FOR CARDIAC DISEASES CONTAINING THE SAME KOWA CO. LTD. (JP) 1995-02-15 EP 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 (2 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT TAAR1 4463/4885ADRA1A 4324/4885HTR2A 4773/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT TAAR1 4463/4885ADRA1A 4324/4885HTR2A 4773/4885

“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.