SCHEMBL13005015

SCHEMBL13005015

COc1ccc2c(c1)OC1(C=C2)CCN(C)CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.70
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
DRD2 P14416 4/20 0.41
DRD1 P21728 2/20 0.41
DRD5 P21918 2/20 0.41
DRD3 P35462 2/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 2/20 0.40
KMT2A Q03164 1/20 0.39
HTR2B P41595 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
KCNH2 Q12809 1/20 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
SCHEMBL13005007 0.89 HTR2C (0.55) HTR2CDRD2DRD1DRD5DRD3
SCHEMBL3413391 0.77 HTR2C (0.62) HTR2CDRD2DRD4HTR2AKMT2A
Prococene I SCHEMBL118080 0.73 HTR2C (0.58) HTR2CCA2CA5AKMT2A
Prococene I SCHEMBL29794343 0.73 HTR2C (0.58) HTR2CCA2CA5AKMT2A
SCHEMBL521129 0.72 HTR2C (0.48) HTR2CCA2DRD2HTR2AKMT2A
SCHEMBL7092152 0.71 HTR2C (0.80) HTR2CDRD2HTR2AKMT2AHTR2B
SCHEMBL13005016 0.70 DRD2 (0.51) HTR2CCA2CA5ADRD2DRD1
SCHEMBL10428639 0.70 HTR2C (0.56) HTR2CCA2CA5ADRD2DRD3
SCHEMBL4273935 0.70 OPRD1 (0.54) HTR2CDRD2DRD1DRD5DRD3
SCHEMBL8680421 0.69 HTR2C (0.48) HTR2CCA2CA5AKMT2A

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 HTR2C 154/4885CA2 2200/4885CA5A 2753/4885

“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.