SCHEMBL23108902

SCHEMBL23108902

CCN1CCC(O)(COC)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
OPRM1 P35372 5/20 0.35
OPRD1 P41143 4/20 0.35
OPRK1 P41145 3/20 0.35
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
SLC22A1 O15245 1/20 0.31
ABCB1 P08183 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL25045011 0.93 CYP2D6 (0.33) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL29348129 0.82 OPRM1 (0.37) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL28238996 0.80 ALDH1A1 (0.30)
SCHEMBL14031186 0.78 GAA (0.38) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL12673901 0.78 KDM4E (0.39) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL23107026 0.77 TSHR (0.31) CYP2D6TSHR
SCHEMBL15806842 0.77 OPRM1 (0.33) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL3370793 0.77
SCHEMBL14129008 0.77
SCHEMBL23442163 0.76 KDM4E (0.46) KDM4EGAAOPRM1OPRD1OPRK1

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-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. 2023-04-20 US disclosed
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 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-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 KDM4E 3143/4885GAA 905/4885OPRM1 4204/4885
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 KDM4E 3754/4885GAA 3731/4885OPRM1 974/4885

“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.