SCHEMBL13005017

SCHEMBL13005017

COc1ccc2c(c1)OC1(CCN(C)CC1)CC2O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HSD11B1 P28845 3/20 0.40
HTR2A P28223 3/20 0.40
DRD2 P14416 3/20 0.40
HTR2C P28335 2/20 0.40
KCNH2 Q12809 1/20 0.40
TRPM8 Q7Z2W7 6/20 0.39
TRPV1 Q8NER1 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.37

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
SCHEMBL13005008 0.91 KMT2A (0.44) KMT2AMAPTHSD11B1HTR2ADRD2
SCHEMBL11482443 0.87 MAPT (0.44) KMT2AKDM4EMEN1MAPTHSD11B1
SCHEMBL22446358 0.82 KMT2A (0.49) KMT2ATRPM8TRPV1
SCHEMBL5312276 0.80 KMT2A (0.62) KMT2ATRPM8TRPV1HTR2B
SCHEMBL31260267 0.78 MAPT (0.47) KMT2AKDM4EMEN1MAPTHTR2B
SCHEMBL13005016 0.77 DRD2 (0.51) KMT2AHSD11B1HTR2ADRD2HTR2C
SCHEMBL13791485 0.76 KCNH2 (0.40) HTR2ADRD2HTR2CKCNH2
SCHEMBL11471447 0.76 MAPT (0.39) KMT2AKDM4EMEN1MAPTHTR2B
SCHEMBL13005005 0.74 HTR2A (0.63) HTR2ADRD2HTR2CKCNH2HRH3
SCHEMBL619734 0.72 MAPT (0.44) KMT2AKDM4EMEN1MAPTHTR2C

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 KMT2A 669/4885KDM4E 2031/4885MEN1 2115/4885

“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.