SCHEMBL2886191

SCHEMBL2886191

N#Cc1ccc(N2CCC(O)(c3ccccc3)[C@H]3CCCC[C@H]32)nc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.50
CNR1 P21554 4/20 0.47
NPY1R P25929 1/20 0.47
HTT P42858 1/20 0.47
NPY2R P49146 1/20 0.47

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
SCHEMBL2886186 1.00 CNR2 (0.50) CNR2CNR1NPY1RHTTNPY2R
SCHEMBL2886188 1.00 CNR2 (0.50) CNR2CNR1NPY1RHTTNPY2R
SCHEMBL13379193 1.00 CNR2 (0.50) CNR2CNR1NPY1RHTTNPY2R
SCHEMBL2887594 0.84 CNR2 (0.53) CNR2CNR1NPY1RHTTNPY2R
SCHEMBL2889667 0.84 CNR2 (0.51) CNR2CNR1NPY1RHTTNPY2R
SCHEMBL2889668 0.84 CNR2 (0.51) CNR2CNR1NPY1RHTTNPY2R
SCHEMBL2887592 0.84 CNR2 (0.53) CNR2CNR1NPY1RHTTNPY2R
SCHEMBL13379192 0.84 CNR2 (0.51) CNR2CNR1NPY1RHTTNPY2R
SCHEMBL2889666 0.84 CNR2 (0.51) CNR2CNR1NPY1RHTTNPY2R
SCHEMBL13379190 0.84 CNR2 (0.53) CNR2CNR1NPY1RHTTNPY2R

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 1 patent. 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

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 CNR2 1/4885CNR1 2/4885NPY1R 107/4885

“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.