SCHEMBL23513596

SCHEMBL23513596

CC(C)N1CCCC2(CC2C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.40
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
FFAR4 Q5NUL3 2/20 0.31
HSD11B1 P28845 1/20 0.31
HSD11B2 P80365 1/20 0.31
MAPT P10636 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNH2 Q12809 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
SCHEMBL23513640 0.90 HRH3 (0.45) HRH3LMNAHPGDFFAR4MAPT
SCHEMBL14725145 0.80 HRH3 (0.54) HRH3LMNAHPGDFFAR4MAPT
SCHEMBL19756445 0.75 HRH3 (0.31) HRH3
SCHEMBL16984290 0.75 HRH3 (0.31) HRH3
SCHEMBL23513637 0.74 HSD11B1 (0.35) HSD11B1CYP2D6
SCHEMBL23513771 0.70 HRH3 (0.37) HRH3FFAR4MAPTKCNH2
SCHEMBL23513600 0.70 GRM2 (0.34) HRH3LMNACYP1A2CYP2D6CYP2C9
SCHEMBL26205432 0.70 CYP2D6 (0.33) HRH3HSD11B1HSD11B2USP2CYP1A2
SCHEMBL1634054 0.70 LMNA (0.39) HRH3LMNAHPGDCYP1A2CYP2D6
SCHEMBL301094 0.70

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 2463/4885LMNA 1995/4885HPGD 712/4885

“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.