SCHEMBL3345784

SCHEMBL3345784

CCOC(=O)c1cc(Br)cnc1OCCNC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
OPRK1 P41145 6/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTT P42858 1/20 0.40
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL3345833 0.85 CNR2 (0.47) CNR2TSHRHSD17B10MAPK1MAPT
SCHEMBL20472328 0.83 OPRK1 (0.48) CNR2OPRK1TSHRPOLBNPSR1
SCHEMBL1505764 0.82 CNR2 (0.47) CNR2OPRK1TSHRPOLBNPSR1
SCHEMBL3447631 0.79 CNR2 (0.42) CNR2OPRK1TSHRPOLBNPSR1
SCHEMBL3344803 0.79 CNR2 (0.45) CNR2OPRK1TSHRPOLBNPSR1
SCHEMBL3538421 0.79 OPRK1 (0.47) OPRK1TSHRPOLBNPSR1HSD17B10
SCHEMBL3450157 0.78 GSK3A (0.38) POLBMAPTLMNAIDO1ALDH1A1
SCHEMBL3450019 0.78 CNR2 (0.44) CNR2OPRK1TSHRPOLBNPSR1
SCHEMBL20472461 0.78 ALDH1A1 (0.50) CNR2OPRK1TSHRPOLBNPSR1
SCHEMBL3448577 0.76 TSHR (0.44) CNR2OPRK1TSHRPOLBNPSR1

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 517/4885OPRK1 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.