SCHEMBL13698990

SCHEMBL13698990

Cc1ccc2c(c1)CCC1(CCN(C)CC1)O2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.43
DRD2 P14416 4/20 0.43
KCNH2 Q12809 2/20 0.43
HTR2C P28335 2/20 0.43
HRH3 Q9Y5N1 12/20 0.42
SIGMAR1 Q99720 1/20 0.41
CYP2D6 P10635 1/20 0.41
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL13698989 0.87 KDM4E (0.47) DRD2KDM4E
SCHEMBL19289053 0.84 HRH3 (0.42) HTR2ADRD2KCNH2HRH3SIGMAR1
SCHEMBL14945599 0.83 CYP2D6 (0.48) HTR2ADRD2KCNH2HTR2CHRH3
SCHEMBL14945598 0.83 HTR2A (0.42) HTR2ADRD2KCNH2HTR2CHRH3
SCHEMBL13005003 0.83 AKT1 (0.48) HTR2ADRD2KCNH2HTR2CHRH3
SCHEMBL8669756 0.81 HRH3 (0.43) HTR2ADRD2KCNH2HTR2CHRH3
SCHEMBL13005005 0.80 HTR2A (0.63) HTR2ADRD2KCNH2HTR2CHRH3
SCHEMBL5313163 0.79 HDAC3 (0.45) HTR2AKCNH2HRH3CYP2D6
SCHEMBL5317315 0.78 HTR2A (0.64) HTR2ADRD2KCNH2HTR2CSIGMAR1
SCHEMBL6849624 0.76 PKM (0.49)

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R HTR2A 126/4885DRD2 337/4885KCNH2 1304/4885

“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.