SCHEMBL2066840

SCHEMBL2066840

CC(C)(C)OC(=O)NCC(CN1CCCCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR1I3 Q14994 1/20 0.43
DRD2 P14416 6/20 0.42
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
KCNA3 P22001 1/20 0.42
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
CNR2 P34972 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2067970 0.79 IDO1 (0.44) SIGMAR1
SCHEMBL2066320 0.76 IDO1 (0.41) SIGMAR1
SCHEMBL630419 0.74 IDO1 (0.47) SIGMAR1
SCHEMBL11645438 0.74 CYP2D6 (0.50) SIGMAR1DRD2CYP2D6MAPK1
SCHEMBL6526565 0.74 KCNA5 (0.40) SIGMAR1NPSR1DRD2NPFFR1NPFFR2
SCHEMBL16221403 0.73 CA12 (0.41) SIGMAR1L3MBTL1
Biphenyl SCHEMBL28784863 0.73 DRD2 (0.62) SIGMAR1DRD2ACHEBACE1CNR2
SCHEMBL2067960 0.73 IDO1 (0.46) SIGMAR1
SCHEMBL27512704 0.73 IDO1 (0.46) SIGMAR1
SCHEMBL11641452 0.72 MCHR1 (0.51) SIGMAR1NR1I3DRD2KCNA3CYP2D6

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
EP-2099794-B1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-05-15 EP disclosed
US-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 US disclosed
EP-2099794-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-09-16 EP disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS ERBB2, TEC, TTBK1 SIGMAR1 3691/4885NPSR1 3885/4885NR1I3 1577/4885

“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.