SCHEMBL15043676

SCHEMBL15043676

CCCC1(c2ccc(F)cc2Cl)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 19/20 0.46
SLC6A4 P31645 17/20 0.46
SLC6A2 P23975 7/20 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
SCHEMBL12000522 0.98 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2
SCHEMBL15042293 0.84 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2
SCHEMBL10181551 0.82 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2
SCHEMBL16301186 0.81 HDAC4 (0.47) SLC6A3SLC6A4SLC6A2
SCHEMBL31441150 0.79 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2
SCHEMBL14944335 0.77 ALDH1A1 (0.44) SLC6A3SLC6A4
SCHEMBL19262172 0.77 BACE1 (0.40)
SCHEMBL12653433 0.76 PSEN1 (0.47) SLC6A3SLC6A4
SCHEMBL16409128 0.75 HDAC4 (0.39) SLC6A3SLC6A4SLC6A2
SCHEMBL17761303 0.75 SLC6A3 (0.46) SLC6A3SLC6A4

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 SLC6A3 2766/4885SLC6A4 2698/4885SLC6A2 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.