SCHEMBL18448342

SCHEMBL18448342

Cc1ccc(C(C)O)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.56
LMNA P02545 3/20 0.47
TRPA1 O75762 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
CYP1A2 P05177 1/20 0.37
GABRB2 P47870 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL19205736 1.00 PDE2A (0.56) PDE2ALMNATRPA1CHRM1SLC6A2
SCHEMBL18567951 0.83 LMNA (0.44) PDE2ALMNATRPA1CHRM1SLC6A2
SCHEMBL673182 0.82 LMNA (0.45) PDE2ALMNATRPA1CHRM1SLC6A2
SCHEMBL1911427 0.82 LMNA (0.56) PDE2ALMNATRPA1CHRM1SLC6A2
SCHEMBL29519227 0.82 LMNA (0.45) PDE2ALMNATRPA1CHRM1SLC6A2
SCHEMBL2698362 0.81 PDE2A (0.55) PDE2ALMNATP53HTTNPSR1
SCHEMBL2502857 0.81 PDE2A (0.55) PDE2ALMNATP53HTTNPSR1
SCHEMBL9910111 0.81 PDE2A (0.55) PDE2ALMNATP53HTTNPSR1
SCHEMBL16067492 0.80 LMNA (0.41) PDE2ALMNATRPA1CHRM1SLC6A2
SCHEMBL13866426 0.80 TP53 (0.63) PDE2ALMNATP53HTTMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3285581-B1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-11 EP disclosed
US-10287269-B2 Pyrazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-05-14 US disclosed
EP-3331863-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2018-06-13 EP disclosed
US-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 US disclosed
WO-2017021879-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-02-09 WO 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 (2 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-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE5A PDE2A 1/4885LMNA 4660/4885TRPA1 3713/4885
US-10287269-B2 Pyrazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE5A PDE2A 1/4885LMNA 4660/4885TRPA1 3713/4885

“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.