SCHEMBL23513641

SCHEMBL23513641

CC(C)N1CCC2(CC2)C[C@H]1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
PTGER4 P35408 1/20 0.31
ACE P12821 6/20 0.31
REN P00797 3/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.31
F2 P00734 1/20 0.31
LMNA P02545 1/20 0.31
LTA4H P09960 1/20 0.31
PEPD P12955 1/20 0.31
ALOX15 P16050 1/20 0.31
PTGS1 P23219 1/20 0.31
HTR2A P28223 1/20 0.31
PTGS2 P35354 1/20 0.31
HRH1 P35367 1/20 0.31
THPO P40225 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
HRH3 Q9Y5N1 2/20 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
SCHEMBL24653012 0.85 PEPD (0.36) MAPTPEPDCYP2C19
SCHEMBL23513602 0.85 PEPD (0.36) MAPTPEPDCYP2C19
SCHEMBL23513586 0.84 MAPT (0.33) MAPTPTGER4ACERENKDM4E
SCHEMBL28152017 0.73 ATM (0.42) CYP2D6CYP2C19
SCHEMBL23513648 0.73 ACE (0.32) MAPTACERENKDM4EF2
SCHEMBL5701910 0.72 ACE (0.40) MAPTACERENKDM4EF2
SCHEMBL5701892 0.72 ACE (0.40) MAPTACERENKDM4EF2
SCHEMBL2091581 0.72 ACE (0.40) MAPTACERENKDM4EF2
SCHEMBL23513619 0.72 ACE (0.33) MAPTPTGER4ACERENKDM4E
SCHEMBL22518862 0.72 CYP2C19 (0.33) CYP2C19

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 MAPT 253/4885PTGER4 3625/4885ACE 242/4885

“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.