SCHEMBL15043705

SCHEMBL15043705

C/C=C/C1(c2cccc(Cl)c2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.50
SLC6A2 P23975 7/20 0.50
SLC6A3 Q01959 6/20 0.50
CCR2 P41597 1/20 0.39
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
TP53 P04637 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTR2C P28335 2/20 0.34
CHRNA1 P02708 2/20 0.34
CHRNG P07510 2/20 0.34
CHRNB1 P11230 2/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34

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
SCHEMBL15042373 0.83 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3CCR2DPP4
SCHEMBL28804064 0.81 SLC6A3 (0.46) SLC6A4SLC6A2SLC6A3CCR2DPP4
SCHEMBL3521865 0.80 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3CCR2DPP4
SCHEMBL12000524 0.80 SLC6A3 (0.46) SLC6A4SLC6A2SLC6A3
SCHEMBL15043691 0.79 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3HDAC3HDAC1
SCHEMBL15043671 0.79 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3
SCHEMBL15862757 0.78 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3CCR2DPP4
SCHEMBL13107026 0.75 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3CCR2DPP4
SCHEMBL31375623 0.75 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3CCR2DPP4
SCHEMBL6448660 0.74 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3CCR2DPP4

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 2698/4885SLC6A2 2889/4885SLC6A3 2766/4885

“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.