SCHEMBL20266802

SCHEMBL20266802

CC(C)(O)C(N)c1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 17/20 1.00
EPHX2 P34913 1/20 0.43
SLC7A5 Q01650 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL18249304 1.00 PDE2A (1.00) PDE2AEPHX2SLC7A5TRPM8
Hydrochloric Acid SCHEMBL17781163 0.98 PDE2A (0.97) PDE2AEPHX2SLC7A5TRPM8
Hydrochloric Acid SCHEMBL16563563 0.98 PDE2A (0.97) PDE2AEPHX2SLC7A5TRPM8
Hydrochloric Acid SCHEMBL17781188 0.83 PDE2A (0.71) PDE2AEPHX2SLC7A5
SCHEMBL20280039 0.82 PDE2A (0.70) PDE2AEPHX2SLC7A5
SCHEMBL16043107 0.81 PDE2A (0.68) PDE2AEPHX2SLC7A5
SCHEMBL19876596 0.81 PDE2A (0.68) PDE2AEPHX2SLC7A5
Hydrochloric Acid SCHEMBL17781126 0.81 PDE2A (0.68) PDE2A
Hydrochloric Acid SCHEMBL17781077 0.80 PDE2A (0.67) PDE2AEPHX2SLC7A5
SCHEMBL23112452 0.79 PDE2A (0.64) PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-10285989-B2 Pyrimidinone amide compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-05-14 US disclosed
US-10285989-B2 Pyrimidinone amide compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-05-14 US disclosed
US-20180256575-A1 PYRIMIDINONE AMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-09-13 US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US disclosed
CN-104245698-B Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-11-30 CN 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 (4 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-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE3A, PDE4D PDE2A 1/4885EPHX2 704/4885SLC7A5 3022/4885
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors PDE2A, PDE3A, PDE4D PDE2A 1/4885EPHX2 704/4885SLC7A5 3022/4885
US-10285989-B2 Pyrimidinone amide compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D PDE2A 2/4885EPHX2 1092/4885SLC7A5 2841/4885
US-20180256575-A1 PYRIMIDINONE AMIDE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D PDE2A 2/4885EPHX2 1092/4885SLC7A5 2841/4885

“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.