SCHEMBL21743930

SCHEMBL21743930

CC(C)(C)OC(=O)N1Cc2cccnc2CC1C=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 3/20 0.40
GPR119 Q8TDV5 4/20 0.39
MAPK1 P28482 1/20 0.39
NAMPT P43490 4/20 0.39
HDAC8 Q9BY41 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.38
DTYMK P23919 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37

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
SCHEMBL31569180 0.85 MEN1 (0.42) MEN1KMT2APOLBGPR119MAPK1
SCHEMBL29757597 0.85 MEN1 (0.42) MEN1KMT2APOLBGPR119MAPK1
SCHEMBL4597855 0.83 HDAC8 (0.43) MEN1KMT2APOLBGPR119MAPK1
SCHEMBL3920405 0.82 NAMPT (0.49) MEN1KMT2AMAPK1NAMPTHDAC8
SCHEMBL30167033 0.82 NAMPT (0.49) MEN1KMT2AMAPK1NAMPTHDAC8
SCHEMBL894532 0.82 NAMPT (0.49) MEN1KMT2AMAPK1NAMPTHDAC8
SCHEMBL15334651 0.82 NAMPT (0.49) MEN1KMT2AMAPK1NAMPTHDAC8
SCHEMBL2081527 0.82 NAMPT (0.49) MEN1KMT2AMAPK1NAMPTHDAC8
SCHEMBL30069435 0.82 NAMPT (0.49) MEN1KMT2AMAPK1NAMPTHDAC8
SCHEMBL21744471 0.81 PTPN1 (0.53) MEN1KMT2APOLBGPR119MAPK1

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-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 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-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 MEN1 4543/4885KMT2A 4253/4885POLB 3104/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 MEN1 4543/4885KMT2A 4253/4885POLB 3104/4885

“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.