SCHEMBL1104628

SCHEMBL1104628

C/N=C/C1CN(C)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CCKBR P32239 1/20 0.34
PAX8 Q06710 1/20 0.33
NOTUM Q6P988 1/20 0.33
GPR3 P46089 1/20 0.33
HTR2A P28223 3/20 0.32
HRH1 P35367 3/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 2/20 0.32
KMT2A Q03164 2/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
SLC6A2 P23975 2/20 0.32
HTR2C P28335 2/20 0.32

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
SCHEMBL13759056 0.82 MTNR1A (0.35) MTNR1AMTNR1BCCKBRPAX8NOTUM
SCHEMBL14051069 0.79 MTNR1A (0.38) MTNR1AMTNR1BCCKBRPAX8NOTUM
SCHEMBL2606493 0.77 HRH1 (0.43) MTNR1AMTNR1BCCKBRHRH1HTR6
SCHEMBL2606545 0.72 HRH1 (0.34) CCKBRHRH1LMNAKDM4EMEN1
SCHEMBL18681421 0.70 NOTUM (0.55) MTNR1AMTNR1BPAX8NOTUMGPR3
SCHEMBL13372442 0.70 NOTUM (0.55) MTNR1AMTNR1BPAX8NOTUMGPR3
SCHEMBL22240446 0.70 NOTUM (0.55) MTNR1AMTNR1BPAX8NOTUMGPR3
SCHEMBL2625781 0.70 NOTUM (0.55) MTNR1AMTNR1BPAX8NOTUMGPR3
SCHEMBL6677929 0.68 PAX8 (0.40) MTNR1AMTNR1BCCKBRPAX8NOTUM
SCHEMBL21957933 0.68 HTR2A (0.39) MTNR1AMTNR1BCCKBRPAX8NOTUM

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-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 US disclosed
US-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 US disclosed
US-20110098277-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-04-28 US disclosed
US-20110098277-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-04-28 US disclosed
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP 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-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 MTNR1A 4320/4885MTNR1B 3807/4885CCKBR 4481/4885

“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.