SCHEMBL5103233

SCHEMBL5103233

C=CCN1CCC(C2c3ccccc3Oc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
HRH3 Q9Y5N1 2/20 0.45
PRCP P42785 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR1A P08908 2/20 0.37
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CCR1 P32246 3/20 0.36

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
SCHEMBL5097113 0.79 RAB9A (0.41) CCR1
SCHEMBL5097109 0.79 RAB9A (0.41) CCR1
SCHEMBL5094817 0.78 MEN1 (0.37) CHRM2CHRM1CHRM3
SCHEMBL3658864 0.76 CHRM2 (0.44) CHRM2CHRM1CHRM3CCR1
SCHEMBL7535279 0.76 MAOA (0.52) CHRM2CHRM1CHRM3
SCHEMBL11730842 0.75 SIGMAR1 (0.44) SIGMAR1HRH3PRCPDRD2DRD4
SCHEMBL8816954 0.71 MAOA (0.47) PRCPCHRM2CHRM1CHRM3CCR1
SCHEMBL11730192 0.70 SIGMAR1 (0.40) SIGMAR1HRH3PRCPDRD2HTR1A
SCHEMBL5096972 0.68 MAOA (0.44) SIGMAR1HTR1A
SCHEMBL2010012 0.68 HTR2A (0.66) SIGMAR1HRH3DRD2DRD4HTR1A

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-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 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 (2 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-20060135522-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 SIGMAR1 7/4885HRH3 736/4885PRCP 1366/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 SIGMAR1 7/4885HRH3 736/4885PRCP 1366/4885

“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.