SCHEMBL13005016

SCHEMBL13005016

COc1ccc2c(c1)OC1(CC2)CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.51
HTR2A P28223 4/20 0.51
HTR2C P28335 3/20 0.51
KCNH2 Q12809 1/20 0.51
DRD1 P21728 8/20 0.49
DRD5 P21918 8/20 0.49
DRD3 P35462 7/20 0.49
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
DRD4 P21917 5/20 0.46
HRH3 Q9Y5N1 1/20 0.42
HSD11B1 P28845 2/20 0.41
PPARA Q07869 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL13005005 0.88 HTR2A (0.63) DRD2HTR2AHTR2CKCNH2DRD1
SCHEMBL28524517 0.82 HTR2C (0.52) DRD2HTR2AHTR2CKCNH2CA2
SCHEMBL13005014 0.79 DRD2 (0.46) DRD2HTR2AHTR2CDRD1DRD5
SCHEMBL4972696 0.78 CA2 (0.49) HTR2CCA2CA5APPARASIGMAR1
SCHEMBL31260287 0.78 CA2 (0.49) HTR2CCA2CA5APPARASIGMAR1
SCHEMBL13068758 0.77 HTR2A (0.57) DRD2HTR2AHTR2CKCNH2HRH3
SCHEMBL13005017 0.77 KMT2A (0.42) DRD2HTR2AHTR2CKCNH2DRD1
SCHEMBL4273605 0.77 CYP19A1 (0.59) HTR2CCA2KMT2A
SCHEMBL5317315 0.74 HTR2A (0.64) DRD2HTR2AHTR2CKCNH2DRD1
SCHEMBL521243 0.74 HTR2A (0.42) DRD2HTR2AHTR2CKCNH2HRH3

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 807/4885HTR2A 203/4885HTR2C 154/4885

“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.