SCHEMBL15064844

SCHEMBL15064844

C[C@@H]1CCCN1C(=O)c1nccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.58
PDE2A O00408 1/20 0.48
GRM5 P41594 1/20 0.48
GRM1 Q13255 1/20 0.48
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HCRTR2 O43614 2/20 0.43
CHRM2 P08172 1/20 0.43
CCR3 P51677 1/20 0.42
CNR2 P34972 2/20 0.42
PDE10A Q9Y233 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL15064842 0.85 HCRTR1 (0.53) HCRTR1PDE2AHCRTR2CHRM2CCR3
SCHEMBL16277457 0.83 HCRTR1 (0.67) HCRTR1PDE2AHCRTR2CHRM2CCR3
SCHEMBL18735000 0.83 HCRTR1 (0.67) HCRTR1PDE2AHCRTR2CHRM2CCR3
SCHEMBL4916902 0.82 HCRTR1 (0.52) HCRTR1PDE2ACCR3CNR2
SCHEMBL4916897 0.82 HCRTR1 (0.52) HCRTR1PDE2ACCR3CNR2
SCHEMBL20102675 0.81 HCRTR2 (0.47) HCRTR1PDE2AHCRTR2CHRM2CCR3
SCHEMBL4919265 0.81 HCRTR1 (0.52) HCRTR1PDE2ACCR3
SCHEMBL20111520 0.81 HCRTR2 (0.47) HCRTR1PDE2AGAAHCRTR2CCR3
SCHEMBL4919272 0.81 HCRTR1 (0.52) HCRTR1PDE2ACCR3
SCHEMBL3570468 0.80 HCRTR1 (0.49) HCRTR1PDE2ATSHRCCR3

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-9815863-B2 Hydrogen bond forming fluoro ketolides for treating diseases CEMPRA PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
US-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2013-07-04 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-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Q6ZSR9, LSS, LCT HCRTR1 1570/4885PDE2A 3798/4885GRM5 4762/4885

“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.