SCHEMBL9989148

SCHEMBL9989148

COc1cc(C(F)(F)F)ccc1-c1cccc2c(CCN)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.46
HTR2A P28223 5/20 0.44
HTR2C P28335 4/20 0.44
TAAR1 Q96RJ0 3/20 0.43
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
SCN5A Q14524 3/20 0.41
CETP P11597 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTR2B P41595 3/20 0.39
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR1B P28222 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
ADRA1A P35348 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
SCHEMBL9988726 0.86 SCN9A (0.48) SCN9AALOX5APFEN1CD274SCN5A
SCHEMBL12074084 0.84 SCN9A (0.42) SCN9AALOX5APFEN1SCN5ACETP
SCHEMBL9989279 0.82 SCN9A (0.46) SCN9AALOX5APFEN1SCN5ACETP
SCHEMBL12074235 0.81 SCN9A (0.43) SCN9AALOX5APFEN1SCN5ACETP
SCHEMBL9989290 0.79 SCN9A (0.50) SCN9ASCN5ACETP
SCHEMBL1569552 0.78 HTR2A (0.59) HTR2AHTR2CTAAR1HTR2BHTR1A
SCHEMBL12075040 0.76 MAOB (0.50) TAAR1
SCHEMBL12075037 0.74 SCN9A (0.40) SCN9ASCN5ACETP
SCHEMBL9122622 0.73 TAAR1 (0.67) HTR2ATAAR1HTR1AADRA1A
SCHEMBL31332014 0.73 TAAR1 (0.67) HTR2ATAAR1HTR1AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 WO disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 SCN9A 2597/4885HTR2A 4859/4885HTR2C 4865/4885

“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.