SCHEMBL15043641

SCHEMBL15043641

CCC[C@]1(C)CCCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
CETP P11597 1/20 0.33
POLB P06746 1/20 0.30
SLC6A4 P31645 2/20 0.30
OPRK1 P41145 1/20 0.30
OPRM1 P35372 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL3539164 1.00 GRIN1 (0.36) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL15043702 1.00 GRIN1 (0.36) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL18707309 0.94 SIRT2 (0.33) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL573648 0.86 SIRT2 (0.40) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL3531548 0.83 GRIN1 (0.41) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL13017847 0.82 SIRT2 (0.38) CETP
SCHEMBL28747959 0.81 GRIN1 (0.40) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL6570244 0.80 SIRT2 (0.44) CETP
SCHEMBL15042435 0.79 LMNA (0.34) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL10178235 0.79 LMNA (0.34) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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 2 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

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 1492/4885GRIN2D 2089/4885

“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.