SCHEMBL21792302

SCHEMBL21792302

COC(=O)c1cn(-c2ccc(Cl)c(OCC3CC3)c2)nn1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.71
RXRA P19793 5/20 0.51
GRIN1 Q05586 5/20 0.51
GRIN2B Q13224 5/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
GPR119 Q8TDV5 1/20 0.44
WDR5 P61964 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL21792125 0.83 NOTUM (1.00) NOTUMRXRAGRIN1GRIN2BNPC1
SCHEMBL21792038 0.81 NOTUM (1.00) NOTUMRXRAGRIN1GRIN2BCA12
SCHEMBL21792303 0.80 NOTUM (0.64) NOTUMRXRAGRIN1GRIN2B
SCHEMBL21776821 0.77 NOTUM (0.75) NOTUMRXRAGRIN1GRIN2BNPC1
SCHEMBL21777017 0.73 NOTUM (1.00) NOTUMNPC1RAB9ACA12CA1
SCHEMBL26085015 0.73 NOTUM (0.64) NOTUMRXRAGRIN1GRIN2BNPC1
SCHEMBL15777276 0.70 CNR2 (0.61)
SCHEMBL15968661 0.69 CNR2 (0.60)
SCHEMBL22816089 0.69 FFAR4 (0.44)
SCHEMBL14788707 0.68 CA1 (0.67) NOTUMCA12CA1CA2CA9

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 1/4885RXRA 2925/4885GRIN1 642/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885RXRA 1952/4885GRIN1 102/4885

“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.