SCHEMBL12075401

SCHEMBL12075401

CCCc1cc(CC)cc(CCCCN)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
MAOA P21397 1/20 0.43
TLR8 Q9NR97 7/20 0.41
PTGS2 P35354 3/20 0.41
CYP3A4 P08684 1/20 0.41
GPR84 Q9NQS5 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HRH1 P35367 2/20 0.39

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
SCHEMBL7812138 0.94 MAOA (0.48) HTR2AMAOATLR8PTGS2CYP3A4
SCHEMBL12075817 0.89 TAAR1 (0.52) HTR2AMAOATLR8PTGS2CYP3A4
SCHEMBL12075818 0.88 MAOA (0.43) HTR2AMAOATLR8PTGS2CYP3A4
SCHEMBL17277406 0.86 HTR2A (0.42) HTR2AMAOATLR8PTGS2CYP3A4
SCHEMBL12062435 0.86 MAOA (0.42) HTR2AMAOATLR8PTGS2CYP3A4
SCHEMBL12075819 0.85 MAOA (0.38) HTR2AMAOATLR8PTGS2CYP3A4
SCHEMBL12075862 0.84 MAOA (0.41) HTR2AMAOATLR8PTGS2CYP3A4
SCHEMBL12075878 0.84 MAOA (0.41) HTR2AMAOATLR8PTGS2CYP3A4
SCHEMBL12075485 0.84 MAOA (0.41) HTR2AMAOATLR8PTGS2CYP3A4
SCHEMBL17277559 0.84 MAOA (0.41) HTR2AMAOATLR8PTGS2CYP3A4

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-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 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-20120220566-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.