SCHEMBL17277406

SCHEMBL17277406

CCCc1cc(C)cc(CCCCN)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
MAOA P21397 1/20 0.42
TLR8 Q9NR97 7/20 0.40
PTGS2 P35354 3/20 0.39
CYP3A4 P08684 1/20 0.39
GPR84 Q9NQS5 2/20 0.39
HRH1 P35367 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL12062435 0.88 MAOA (0.42) HTR2AMAOATLR8PTGS2CYP3A4
SCHEMBL17277598 0.88 TAAR1 (0.50) HTR2AMAOAHRH1TAAR1
SCHEMBL15787310 0.87 MAOA (0.48) HTR2AMAOATLR8HRH1TAAR1
SCHEMBL12075401 0.86 HTR2A (0.44) HTR2AMAOATLR8PTGS2CYP3A4
SCHEMBL17277597 0.86 MAOA (0.43) HTR2AMAOATLR8HRH1TAAR1
SCHEMBL15787668 0.84 MAOA (0.36) HTR2AMAOATLR8HRH1TAAR1
SCHEMBL17277611 0.83 MAOA (0.38) HTR2AMAOATLR8HRH1NPC1
SCHEMBL16951358 0.83 NPC1 (0.54) PTGS2CYP3A4GPR84NPC1HPGD
SCHEMBL16962402 0.82 FFAR4 (0.44) PTGS2CYP3A4GPR84NPC1HPGD
SCHEMBL17277470 0.82 MAOA (0.41) MAOAPTGS2CYP3A4GPR84HRH1

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-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

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 HTR2A 4773/4885MAOA 693/4885TLR8 444/4885

“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.