SCHEMBL13379181

SCHEMBL13379181

O[C@]1(c2ccccc2)CCN(Cc2ccccn2)[C@@H]2CCCC[C@@H]21

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.69
HTT P42858 1/20 0.69
NPY2R P49146 1/20 0.69
CNR2 P34972 18/20 0.57
KDM4E B2RXH2 1/20 0.52
CNR1 P21554 6/20 0.50

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
SCHEMBL2888553 1.00 NPY1R (0.69) NPY1RHTTNPY2RCNR2KDM4E
SCHEMBL2890670 0.82 NPY1R (0.82) NPY1RHTTNPY2RCNR2KDM4E
SCHEMBL13379183 0.82 NPY1R (0.82) NPY1RHTTNPY2RCNR2KDM4E
SCHEMBL13378438 0.81 NPY1R (0.65) NPY1RHTTNPY2RCNR2KDM4E
SCHEMBL2888516 0.80 NPY1R (0.64) NPY1RHTTNPY2RCNR2KDM4E
SCHEMBL13379182 0.80 NPY1R (0.77) NPY1RHTTNPY2RCNR2KDM4E
SCHEMBL2889647 0.80 NPY1R (0.77) NPY1RHTTNPY2RCNR2KDM4E
SCHEMBL13227808 0.79 NPY1R (0.72) NPY1RHTTNPY2RCNR2KDM4E
SCHEMBL13379189 0.77 CNR2 (0.61) NPY1RHTTNPY2RCNR2CNR1
SCHEMBL2882548 0.77 CNR2 (0.61) NPY1RHTTNPY2RCNR2CNR1

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-20100099673-A1 DECAHYDROQUINOLINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK SHARP & DOHME CORP. 2010-04-22 US disclosed
US-20100099673-A1 DECAHYDROQUINOLINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK SHARP & DOHME CORP. 2010-04-22 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-20100099673-A1 DECAHYDROQUINOLINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 NPY1R 107/4885HTT 2944/4885NPY2R 63/4885

“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.