SCHEMBL21180449

SCHEMBL21180449

Cc1cc(C(F)(F)F)ccc1C(C)N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 11/20 0.49
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
HRH4 Q9H3N8 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
KIF11 P52732 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 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
SCHEMBL29472439 1.00 PDE2A (0.49) PDE2AHTR2AHTR2CHTR2BHRH4
SCHEMBL10124490 0.84 LMNA (0.38) PDE2AHTR2AHTR2CHTR2BLMNA
SCHEMBL10304787 0.83 PDE2A (0.52) PDE2AHTR2AHTR2CHTR2BLMNA
SCHEMBL4550763 0.82 PDE2A (0.66) PDE2AHTR2AHTR2CHTR2B
SCHEMBL29685925 0.82 PDE2A (0.66) PDE2AHTR2AHTR2CHTR2B
SCHEMBL4233776 0.82 PDE2A (0.66) PDE2AHTR2AHTR2CHTR2B
SCHEMBL14120778 0.82 PDE2A (0.66) PDE2AHTR2AHTR2CHTR2B
SCHEMBL30557838 0.82 PDE2A (0.66) PDE2AHTR2AHTR2CHTR2B
SCHEMBL6816690 0.82 PDE2A (0.47) PDE2AHTR2AHTR2CHTR2BLMNA
SCHEMBL12739064 0.82 POLB (0.40) PDE2ALMNATP53HTTSCN10A

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
US-20220098159-A1 CARBAMATE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2022-03-31 US disclosed
CN-113660983-A Carbamate derivatives and uses thereof 诺瑟拉有限公司 2021-11-16 CN disclosed
EP-3270926-B1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-04 EP disclosed
WO-2020152361-A1 CARBAMATE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-07-30 WO disclosed
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 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 (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-20220098159-A1 CARBAMATE DERIVATIVES AND USES THEREOF CASP1, IL1B, PYCARD PDE2A 900/4885HTR2A 4784/4885HTR2C 4779/4885
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE4D PDE2A 1/4885HTR2A 123/4885HTR2C 79/4885

“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.