SCHEMBL20202582

SCHEMBL20202582

Cc1ccc([C@H](O)C2CC2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
PDE2A O00408 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 3/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
DHODH Q02127 1/20 0.36
BRD4 O60885 1/20 0.35
HDAC1 Q13547 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
SCHEMBL20202581 1.00 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1PDE2A
SCHEMBL8418336 0.86 PDE2A (0.45) PDE2AHTR2AHTR2CHTR7DHODH
SCHEMBL8258056 0.86 PDE2A (0.45) PDE2AHTR2AHTR2CHTR7DHODH
SCHEMBL23231747 0.83 PDE2A (0.45) PDE2AHTR2AHTR2CHTR7DHODH
SCHEMBL20791402 0.82 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1AKR1C3
SCHEMBL20791401 0.82 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1AKR1C3
SCHEMBL8226471 0.79 PDE2A (0.43) OPRM1OPRD1OPRK1OPRL1PDE2A
SCHEMBL8282814 0.79 PDE2A (0.41) PDE2AALDH1A1HTR2AHTR2CHTR7
SCHEMBL12202753 0.78 HIF1A (0.55) KMT2AMEN1SLC6A3
SCHEMBL18290846 0.77 PDE2A (0.51) PDE2AHTR2AHTR2CHTR7DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 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-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D OPRM1 3692/4885OPRD1 705/4885OPRK1 1810/4885

“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.