SCHEMBL13005014

SCHEMBL13005014

CN1CCC2(CCc3ccc(O)cc3O2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.46
DRD1 P21728 5/20 0.46
DRD5 P21918 5/20 0.46
DRD3 P35462 5/20 0.46
HTR2A P28223 2/20 0.45
HTR2C P28335 1/20 0.45
DRD4 P21917 3/20 0.44
OPRM1 P35372 3/20 0.44
CHRNA7 P36544 2/20 0.44
OPRK1 P41145 2/20 0.44
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
OPRD1 P41143 3/20 0.42
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL13005003 0.88 AKT1 (0.48) DRD2DRD1DRD5DRD3HTR2A
SCHEMBL13720817 0.82 CA2 (0.46) DRD2HTR2AHTR2CCHRNA7CA2
SCHEMBL13005016 0.79 DRD2 (0.51) DRD2DRD1DRD5DRD3HTR2A
SCHEMBL5317315 0.77 HTR2A (0.64) DRD2DRD1DRD5DRD3HTR2A
SCHEMBL31254037 0.77 ALDH1A1 (0.49) OPRM1CHRNA7CA2CA5A
SCHEMBL4974003 0.77 ALDH1A1 (0.49) OPRM1CHRNA7CA2CA5A
Formaldehyde SCHEMBL27953583 0.73 ALDH1A1 (0.49) CA2CA5A
SCHEMBL9284097 0.73 ESR2 (0.44) OPRM1OPRK1CA2CA5AOPRD1
SCHEMBL13698990 0.73 HTR2A (0.43) DRD2HTR2AHTR2CSIGMAR1
SCHEMBL12470516 0.73 KDM4E (0.40) CA2CA5A

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-20100317679-A1 SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES LIGAND PHARMACEUTICALS, INC. (US) 2010-12-16 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-20100317679-A1 SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES HRH3, HRH4, HRH2 DRD2 807/4885DRD1 1080/4885DRD5 2072/4885

“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.