SCHEMBL23868331

SCHEMBL23868331

COc1cccc([C@H](C)N2CC[C@H](Cc3ccc(F)nc3)C2)n1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.32
PDE9A O76083 2/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
OGA O60502 1/20 0.31
DRD4 P21917 2/20 0.31
DGKZ Q13574 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP2D6 P10635 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2C P28335 1/20 0.30
SSTR1 P30872 1/20 0.30
SSTR2 P30874 1/20 0.30
SSTR4 P31391 1/20 0.30
SSTR3 P32745 1/20 0.30
SSTR5 P35346 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL23868330 1.00 PTGDR2 (0.32) PTGDR2PDE9AHTR1AHTR1DHTR1B
SCHEMBL23868333 1.00 PTGDR2 (0.32) PTGDR2PDE9AHTR1AHTR1DHTR1B
SCHEMBL21608560 0.91 TRPV6 (0.37) PDE9AOGACYP2D6DRD2HTR2C
SCHEMBL21608568 0.91 TRPV6 (0.37) PDE9AOGACYP2D6DRD2HTR2C
SCHEMBL21608569 0.91 TRPV6 (0.37) PDE9AOGACYP2D6DRD2HTR2C
SCHEMBL21608552 0.91 TRPV6 (0.37) PDE9AOGACYP2D6DRD2HTR2C
SCHEMBL21608034 0.88 KCNK3 (0.37) HRH3
SCHEMBL21608031 0.88 KCNK3 (0.37) HRH3
SCHEMBL21608539 0.83 PDE9A (0.35) PTGDR2PDE9AOGA
SCHEMBL21608536 0.83 PDE9A (0.35) PTGDR2PDE9AOGA

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-20210300900-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 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-20210300900-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN PTGDR2 4742/4885PDE9A 3702/4885HTR1A 2660/4885

“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.