SCHEMBL10179277

SCHEMBL10179277

CC(C)CCC1(c2ccccn2)CCCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
GRIN2B Q13224 3/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
CYP19A1 P11511 1/20 0.36
OPRM1 P35372 4/20 0.34
SLC6A4 P31645 2/20 0.34
OPRK1 P41145 1/20 0.34
LMNA P02545 1/20 0.34
CACNA1C Q13936 1/20 0.34
CETP P11597 2/20 0.33
MME P08473 1/20 0.33
CXCR3 P49682 1/20 0.33
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL15043656 0.85 GRIN1 (0.47) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL10178152 0.80 GRIN1 (0.46) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL10178594 0.75 CYP19A1 (0.46) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL10179261 0.68 GRIN1 (0.48) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL9682670 0.67 ALDH1A1 (0.43) GRIN1GRIN2AGRIN2BOPRM1SLC6A4
SCHEMBL9682068 0.67 GRIN2D (0.41) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL21440292 0.67 OPRM1 (0.63) OPRM1OPRK1
SCHEMBL6247800 0.66 CYP19A1 (0.36) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL7945256 0.65 GRIN1 (0.41) GRIN1GRIN2AGRIN2BOPRM1OPRK1
SCHEMBL1515509 0.65 GRIN1 (0.47) GRIN1GRIN2AGRIN2BOPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 US disclosed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 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-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 GRIN1 606/4885GRIN2A 1492/4885GRIN2B 1708/4885

“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.