SCHEMBL389820

SCHEMBL389820

OCCNC1CCN(c2ccc(Br)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.49
PDE10A Q9Y233 1/20 0.47
GRM2 Q14416 2/20 0.42
GRM3 Q14832 2/20 0.42
CHRM4 P08173 1/20 0.41
P2RX7 Q99572 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
HMOX1 P09601 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
HRH4 Q9H3N8 3/20 0.39

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
SCHEMBL389819 1.00 OPRK1 (0.49) OPRK1PDE10AGRM2GRM3CHRM4
SCHEMBL1783315 0.87 GRM2 (0.42) OPRK1PDE10AGRM2GRM3CHRM4
SCHEMBL1782714 0.84 GRM2 (0.44) PDE10AGRM2GRM3CHRM4TRPV1
SCHEMBL1782143 0.84 GRM2 (0.44) PDE10AGRM2GRM3CHRM4TRPV1
SCHEMBL1782278 0.84 GRM2 (0.44) PDE10AGRM2GRM3CHRM4TRPV1
SCHEMBL1780629 0.84 ROCK2 (0.42) OPRK1PDE10AGRM2GRM3CHRM4
SCHEMBL393127 0.81 HMOX1 (0.45) PDE10AGRM2GRM3CHRM4TRPV1
SCHEMBL391823 0.81 GRM2 (0.42) PDE10AGRM2GRM3CHRM4TRPV1
SCHEMBL392254 0.81 GRM2 (0.42) PDE10AGRM2GRM3CHRM4TRPV1
SCHEMBL391822 0.81 GRM2 (0.42) PDE10AGRM2GRM3CHRM4TRPV1

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-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 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-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R OPRK1 79/4885PDE10A 1526/4885GRM2 525/4885

“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.