SCHEMBL21792303

SCHEMBL21792303

OCc1cn(-c2ccc(Cl)c(OCC3CC3)c2)nn1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.64
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
RXRA P19793 4/20 0.51
GRIN1 Q05586 4/20 0.51
GRIN2B Q13224 4/20 0.51
KCNH2 Q12809 1/20 0.47

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
SCHEMBL19211406 0.82 NOTUM (0.69) NOTUMKDM4EMAPTRXRAGRIN1
SCHEMBL19211455 0.81 NOTUM (0.71) NOTUMKDM4EMAPTRXRAGRIN1
SCHEMBL28602472 0.81 NOTUM (0.67) NOTUMKDM4EMAPTRXRAGRIN1
SCHEMBL21792302 0.80 NOTUM (0.71) NOTUMRXRAGRIN1GRIN2B
SCHEMBL21792036 0.80 NOTUM (0.66) NOTUMKDM4EMAPTRXRAGRIN1
SCHEMBL23451575 0.78 NOTUM (1.00) NOTUMKDM4EMAPTRXRAGRIN1
SCHEMBL19211446 0.78 GRIN1 (0.72) NOTUMRXRAGRIN1GRIN2BKCNH2
SCHEMBL21792045 0.78 NOTUM (1.00) NOTUMKDM4EMAPTKCNH2
SCHEMBL21776986 0.76 NOTUM (0.70) NOTUMKDM4EMAPTKCNH2
SCHEMBL28602470 0.75 NOTUM (0.66) NOTUMRXRAGRIN1GRIN2BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885KDM4E 3907/4885MAPT 1431/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885KDM4E 4149/4885MAPT 315/4885

“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.