SCHEMBL14116

SCHEMBL14116

CCOCc1cc2cn(-c3ccc(CNCCCN)cc3)c(=O)nc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
IL6 P05231 4/20 0.35
TLR7 Q9NYK1 4/20 0.35
KDM4E B2RXH2 3/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MMP13 P45452 1/20 0.32
KAT2B Q92831 1/20 0.31
PARP1 P09874 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14451 0.91 MC4R (0.36) MC4RMC5RMC3RIL6TLR7
SCHEMBL12075420 0.90 MC4R (0.38) MC4RMC5RMC3RIL6TLR7
SCHEMBL13822 0.87 MC4R (0.38) MC4RMC5RMC3RIL6TLR7
SCHEMBL12075768 0.86 MC4R (0.38) MC4RMC5RMC3RIL6TLR7
SCHEMBL13693 0.86 MC4R (0.40) MC4RMC5RMC3ROPRM1OPRK1
SCHEMBL14287 0.85 MC4R (0.36) MC4RMC5RMC3RIL6TLR7
SCHEMBL17484492 0.84 MC4R (0.39) MC4RMC5RMC3RIL6TLR7
SCHEMBL15787201 0.84 MC4R (0.39) MC4RMC5RMC3RIL6TLR7
SCHEMBL12061576 0.83 MC4R (0.40) MC4RMC5RMC3R
SCHEMBL20020031 0.82 PARP1 (0.36) IL6TLR7PARP1

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 6 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
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
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
WO-2011047319-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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT MC4R 2989/4885MC5R 3036/4885MC3R 3163/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MC4R 2989/4885MC5R 3036/4885MC3R 3163/4885

“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.