SCHEMBL3345833

SCHEMBL3345833

CC(=O)NCCOc1ncc(Br)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
IDO1 P14902 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39

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
SCHEMBL3345784 0.85 CNR2 (0.47) CNR2TSHRMAPK1HSD17B10MTNR1A
SCHEMBL1505065 0.80 CNR2 (0.48) CNR2TSHRMAPK1HSD17B10ALDH1A1
SCHEMBL3451828 0.80 CNR2 (0.44) CNR2TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL31481588 0.79 CNR2 (0.43) CNR2TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL6362662 0.78 HSD17B10 (0.50) CNR2TSHRHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL3448118 0.77 TSHR (0.42) USP2ALOX15TSHRMAPK1HSD17B10
SCHEMBL3447615 0.77 CNR2 (0.46) CNR2USP2ALOX15TSHRMAPK1
SCHEMBL21512633 0.77 KDM4E (0.46) CNR2SMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL316314 0.75 HSD17B10 (0.50) CNR2TSHRHSD17B10LMNAALDH1A1
Lithium SCHEMBL9954426 0.73 HSD17B10 (0.49) CNR2TSHRHSD17B10LMNAALDH1A1

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-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

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 CNR2 517/4885USP2 4478/4885ALOX15 540/4885

“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.