SCHEMBL25890239

SCHEMBL25890239

CN1C(=O)C(C)(O)c2cc(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.41
NT5E P21589 2/20 0.40
AKR1B1 P15121 2/20 0.40
PKM P14618 1/20 0.39
CNR1 P21554 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
PARK7 Q99497 1/20 0.39
POLB P06746 2/20 0.37
RAD52 P43351 1/20 0.37
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
CA1 P00915 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
SCHEMBL25890241 0.87 ALDH1A1 (0.40) ALDH1A1HPGDOPRM1OPRK1OPRL1
SCHEMBL24201847 0.83 MEN1 (0.50) OPRM1OPRK1OPRL1PKMPOLB
SCHEMBL16748719 0.81 PKM (0.57) ALDH1A1OPRM1OPRK1OPRL1PKM
SCHEMBL31294864 0.81 OPRM1 (0.45) ALDH1A1HPGDOPRM1OPRK1OPRL1
SCHEMBL21032697 0.80 PKM (0.39) ALDH1A1HPGDPKMCNR1GPR55
SCHEMBL15538135 0.80 PKM (0.39) ALDH1A1HPGDPKMCNR1GPR55
SCHEMBL25891407 0.80 PKM (0.39) ALDH1A1HPGDPKMCNR1GPR55
SCHEMBL19501890 0.78 PKM (0.38) ALDH1A1HPGDPKMCNR1GPR55
SCHEMBL23612444 0.78 LMNA (0.47) HPGDOPRM1OPRK1OPRL1PKM
SCHEMBL949227 0.78 NQO2 (0.51) ALDH1A1HPGDOPRM1OPRK1OPRL1

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
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 US disclosed
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 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-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 ALDH1A1 426/4885HPGD 198/4885OPRM1 2362/4885

“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.