SCHEMBL3374553

SCHEMBL3374553

COC(=O)C1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.46
HSD11B1 P28845 1/20 0.42
MAPT P10636 2/20 0.41
PDK2 Q15119 1/20 0.41
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNMA1 Q12791 1/20 0.36

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
SCHEMBL3448923 0.94 NOTUM (0.39) NOTUMHSD11B1MAPTPDK2HSD17B10
SCHEMBL18580653 0.91 LIPG (0.36) NOTUMHSD11B1MAPTPDK2HSD17B10
SCHEMBL13420961 0.88 NOTUM (0.60) NOTUM
SCHEMBL14711664 0.86 MAPT (0.50) NOTUMMAPTPDK2HSD17B10MEN1
SCHEMBL14711369 0.86 MAPT (0.50) NOTUMMAPTPDK2HSD17B10MEN1
SCHEMBL13348447 0.86 NOTUM (0.41) NOTUMHSD11B1MAPTPDK2HSD17B10
SCHEMBL14321596 0.85 NOTUM (0.48) NOTUMPDK2
SCHEMBL15579191 0.82 LGMN (0.55) MAPTPDK2MEN1KMT2AALDH1A1
SCHEMBL22680282 0.81 MAPT (0.42) NOTUMHSD11B1MAPTPDK2HSD17B10
SCHEMBL29429497 0.81 MAPT (0.42) NOTUMHSD11B1MAPTPDK2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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 (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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD NOTUM 831/4885HSD11B1 642/4885MAPT 3947/4885

“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.