SCHEMBL3344803

SCHEMBL3344803

CCOC(=O)c1cc(Br)cnc1OCCCSC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
OPRK1 P41145 6/20 0.42
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL3447615 0.84 CNR2 (0.46) CNR2OPRK1TSHRPOLBHSD17B10
SCHEMBL20472328 0.84 OPRK1 (0.48) CNR2OPRK1TSHRNPSR1POLB
SCHEMBL1505764 0.83 CNR2 (0.47) CNR2OPRK1TSHRNPSR1POLB
SCHEMBL3450019 0.81 CNR2 (0.44) CNR2OPRK1TSHRNPSR1POLB
SCHEMBL3447631 0.80 CNR2 (0.42) CNR2OPRK1TSHRNPSR1POLB
SCHEMBL3538421 0.80 OPRK1 (0.47) OPRK1TSHRNPSR1POLBHSD17B10
SCHEMBL3345784 0.79 CNR2 (0.47) CNR2OPRK1TSHRNPSR1POLB
SCHEMBL20472461 0.79 ALDH1A1 (0.50) CNR2OPRK1TSHRNPSR1POLB
SCHEMBL3448577 0.77 TSHR (0.44) CNR2OPRK1TSHRNPSR1POLB
SCHEMBL3448732 0.76 OPRK1 (0.45) OPRK1TSHRNPSR1POLBHSD17B10

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 CNR2 517/4885OPRK1 634/4885TSHR 4310/4885

“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.