SCHEMBL23513640

SCHEMBL23513640

CC(C)N1CCC2(CC2C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.45
FFAR4 Q5NUL3 2/20 0.34
KHK P50053 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL23513596 0.90 HRH3 (0.40) HRH3FFAR4CYP2D6MAPTLMNA
SCHEMBL14725145 0.89 HRH3 (0.54) HRH3FFAR4CYP2D6MAPTKMT2A
SCHEMBL20796091 0.77 HRH3 (0.44) HRH3FFAR4
SCHEMBL23513771 0.77 HRH3 (0.37) HRH3FFAR4KHKMAPTKMT2A
SCHEMBL22102133 0.75 HRH3 (0.43) HRH3FFAR4CYP2D6
SCHEMBL14725158 0.75 HRH3 (0.54) HRH3CYP2D6LMNAHPGD
SCHEMBL30803182 0.74 CYP2C19 (0.37) HRH3KHKCYP2D6HPGD
SCHEMBL16984291 0.74 HRH3 (0.35) HRH3CYP2D6
SCHEMBL23513600 0.73 GRM2 (0.34) HRH3KHKCYP2D6KMT2ALMNA
SCHEMBL21645635 0.72 HRH3 (0.45) HRH3FFAR4MAPTKMT2A

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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC 2021-06-17 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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION PDCD1, CD274, PDCD1LG2 HRH3 2463/4885FFAR4 3558/4885KHK 1522/4885

“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.