SCHEMBL15043683

SCHEMBL15043683

CCOCC1(c2ccc(F)cc2)CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.40
SLC6A3 Q01959 3/20 0.40
SLC6A2 P23975 1/20 0.40
P2RX7 Q99572 1/20 0.38
TACR1 P25103 8/20 0.38
KCNH2 Q12809 8/20 0.38
ICMT O60725 2/20 0.37
OPRM1 P35372 2/20 0.37
CACNA1G O43497 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
SCHEMBL16301173 0.84 SLC6A3 (0.57) SLC6A4SLC6A3SLC6A2TACR1KCNH2
SCHEMBL15042323 0.84 HTT (0.41) SLC6A4SLC6A3SLC6A2P2RX7TACR1
SCHEMBL12614285 0.82 SLC6A3 (0.45) SLC6A4SLC6A3SLC6A2P2RX7ICMT
SCHEMBL15043698 0.80 BACE1 (0.41) P2RX7ICMT
SCHEMBL15043598 0.79 ICMT (0.46) SLC6A4SLC6A3SLC6A2P2RX7ICMT
SCHEMBL2701757 0.75 SLC6A3 (0.68) SLC6A4SLC6A3SLC6A2P2RX7ICMT
SCHEMBL15043708 0.74 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2TACR1ICMT
Hydrochloric Acid SCHEMBL29428975 0.73 SLC6A3 (0.66) SLC6A4SLC6A3SLC6A2P2RX7
SCHEMBL15043601 0.73 OPRM1 (0.42) SLC6A4SLC6A3SLC6A2ICMTOPRM1
SCHEMBL12542428 0.72 SLC6A3 (0.50) SLC6A4SLC6A3SLC6A2P2RX7ICMT

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 SLC6A4 2698/4885SLC6A3 2766/4885SLC6A2 2889/4885

“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.