SCHEMBL10237802

SCHEMBL10237802

COc1ccc(CN2CC[C@@H]3Oc4ccc(C)cc4C(=O)[C@H]3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.43
SIGMAR1 Q99720 3/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
DRD4 P21917 3/20 0.41
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
MCHR1 Q99705 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CCR8 P51685 1/20 0.39
DRD3 P35462 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC18A3 Q16572 2/20 0.39

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
SCHEMBL10237801 1.00 DRD2 (0.43) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL8515074 0.89 DRD2 (0.42) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL8531940 0.89 DRD2 (0.42) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL8531446 0.89 DRD2 (0.42) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL8537824 0.89 DRD2 (0.42) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL9932272 0.77 DRD4 (0.41) DRD2SIGMAR1DRD4ACHESMN1; SMN2
SCHEMBL10237792 0.76 SLC18A3 (0.41) SIGMAR1DRD4ACHEMCHR1HRH3
SCHEMBL8535101 0.67 SLC18A3 (0.40) DRD2SIGMAR1DRD4ACHEMCHR1
SCHEMBL13726456 0.66 SIGMAR1 (0.57) SIGMAR1DRD4ACHEHRH3SMN1; SMN2
SCHEMBL28728795 0.66 SIGMAR1 (0.56) SIGMAR1DRD4ACHESMN1; SMN2KDM4E

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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 DRD2 4374/4885SIGMAR1 4067/4885HTR2A 2574/4885

“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.