SCHEMBL18075688

SCHEMBL18075688

C=C(OCC)c1ccc(C(F)(F)F)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CFTR P13569 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ POLB P06746 3/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ XPO1 O14980 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ LMNA P02545 1/20 0.36

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
SCHEMBL4691963 0.80 CA12 (0.50) NPSR1CFTRGAAL3MBTL1KDM4E
SCHEMBL5670137 0.79 SMN1; SMN2 (0.46) ALDH1A1L3MBTL1KDM4ECYP2C19HPGD
SCHEMBL18611579 0.77 CES2 (0.44) CFTRALDH1A1GAAKDM4ECYP2C19
SCHEMBL8564468 0.73 GAA (0.51) ALDH1A1GAAL3MBTL1CYP2C19HPGD
SCHEMBL14054107 0.72 CES2 (0.49) NPSR1CFTRALDH1A1GAAKDM4E
SCHEMBL10566215 0.72 MRGPRX4 (0.49) NPSR1CFTRALDH1A1GAAL3MBTL1
SCHEMBL3618945 0.71 PPARD (0.47) CFTRALDH1A1GAAL3MBTL1KDM4E
SCHEMBL1998616 0.71 CES2 (0.60) NPSR1CFTRL3MBTL1KDM4ECES2
SCHEMBL16647662 0.71 MRGPRX4 (0.51) NPSR1CFTRGAAL3MBTL1KDM4E
SCHEMBL5943406 0.71 CA12 (0.64) CFTRALDH1A1L3MBTL1KDM4EUSP2

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-3270926-B1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-04 — — EP disclosed
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 — — US disclosed
US-20180237422-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-23 — — US disclosed
EP-3270926-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-01-24 — — EP disclosed
WO-2016149058-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 — — 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-20180237422-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE4D NPSR1 1400/4885CFTR 3375/4885ALDH1A1 608/4885
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE4D NPSR1 1400/4885CFTR 3375/4885ALDH1A1 608/4885

“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.

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