SCHEMBL21180421

SCHEMBL21180421

CC(N)c1ccc(C2CC2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
TP53 P04637 3/20 0.56
HTT P42858 1/20 0.56
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 2/20 0.39
NFKB1 P19838 2/20 0.39
PNMT P11086 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 6/20 0.36
SLC6A3 Q01959 6/20 0.36
KCNH2 Q12809 3/20 0.36
SMURF2 Q9HAU4 1/20 0.35
SMURF1 Q9HCE7 1/20 0.35
ESR1 P03372 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL15028917 0.85 SLC6A2 (0.38) LMNATP53HTTCYP2D6SLC6A2
SCHEMBL18075712 0.82 PDE2A (0.49) LMNATP53HTTCYP2D6SLC6A2
SCHEMBL18097765 0.82 SLC6A2 (0.36) LMNATP53HTTCYP3A4CYP2D6
SCHEMBL21872089 0.81 SLC6A2 (0.45) LMNATP53HTTCYP2D6SLC6A2
SCHEMBL21871910 0.81 SLC6A2 (0.45) LMNATP53HTTCYP2D6SLC6A2
SCHEMBL11742998 0.78 PDE2A (0.45) LMNATP53HTTCYP2D6ALDH1A1
SCHEMBL11830163 0.76 SLC6A2 (0.37) LMNATP53CYP3A4CYP2D6CYP1A2
SCHEMBL21995126 0.75 SLC6A2 (0.36) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL20252529 0.75 PDE2A (0.39) LMNATP53HTTHTR2AHTR2C
SCHEMBL26931657 0.75 PDE2A (0.39) LMNATP53HTTHTR2AHTR2C

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 2 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

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-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE4D LMNA 4687/4885TP53 4183/4885HTT 244/4885

“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.