SCHEMBL13763

SCHEMBL13763

Cc1ccc(F)cc1CCCCN

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.51
SLC6A2 P23975 12/20 0.49
SLC6A4 P31645 12/20 0.49
SLC6A3 Q01959 12/20 0.49
TAAR1 Q96RJ0 2/20 0.48

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
SCHEMBL3925009 0.86 TAAR1 (0.64) MPOSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL11942564 0.83 ALOX5 (0.44) MPOSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL25143184 0.82 MPO (0.56) MPOSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL13850100 0.81 ALOX5 (0.47) MPOSLC6A2SLC6A4SLC6A3
SCHEMBL19658854 0.81 TYR (0.44) MPOSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL14154 0.81 TAAR1 (0.74) MPOTAAR1
SCHEMBL17354504 0.80 MPO (0.50) MPOSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL6192614 0.79 MPO (0.50) MPOSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL17188320 0.79 ALDH1A1 (0.40) MPOSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL10110932 0.79 TAAR1 (0.71) MPOTAAR1

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 5 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

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 MPO 1/4885SLC6A2 3776/4885SLC6A4 4116/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MPO 1/4885SLC6A2 3776/4885SLC6A4 4116/4885

“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.