SCHEMBL9727662

SCHEMBL9727662

CN[C@@H](C=O)Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.45
MTNR1A P48039 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
MMP9 P14780 1/20 0.42
NQO2 P16083 1/20 0.42
CASP1 P29466 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL25660784 1.00 CTNNB1 (0.45) CTNNB1MTNR1ASIGMAR1CYP1A2CYP2C19
SCHEMBL9631575 1.00 CTNNB1 (0.45) CTNNB1MTNR1ASIGMAR1CYP1A2CYP2C19
SCHEMBL2269291 0.82 TACR1 (0.51) CTNNB1MMP9CASP1TDP1KMT2A
SCHEMBL2270111 0.82 TACR1 (0.51) CTNNB1MMP9CASP1TDP1KMT2A
SCHEMBL2544632 0.80 CTNNB1 (0.52) CTNNB1MMP9CASP1TDP1KMT2A
SCHEMBL11399752 0.79 SIGMAR1 (0.39) CTNNB1MTNR1ASIGMAR1CYP1A2CYP2C19
SCHEMBL9852737 0.79 CASP1 (0.48) CTNNB1MTNR1AMMP9CASP1TDP1
SCHEMBL10857577 0.78 CTNNB1 (0.49) CTNNB1SIGMAR1CYP1A2CYP2C19CYP2D6
SCHEMBL11275502 0.78 CTNNB1 (0.51) CTNNB1SIGMAR1CYP1A2CYP2C19CYP2D6
SCHEMBL8484930 0.78 CTNNB1 (0.51) CTNNB1SIGMAR1CYP1A2CYP2C19CYP2D6

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-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US claimed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 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-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP CTNNB1 2924/4885MTNR1A 2827/4885SIGMAR1 1037/4885

“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.