SCHEMBL15043643

SCHEMBL15043643

CCOCC1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.45
SLC6A3 Q01959 7/20 0.45
SLC6A2 P23975 5/20 0.45
TACR1 P25103 3/20 0.41
KCNH2 Q12809 2/20 0.41
S1PR1 P21453 1/20 0.39
OPRM1 P35372 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL15043699 0.93 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2TACR1KCNH2
SCHEMBL11890684 0.81 CHRM2 (0.40) SLC6A4SLC6A3SLC6A2TACR1KCNH2
SCHEMBL10179282 0.81 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2TACR1KCNH2
SCHEMBL12248258 0.78 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL12982575 0.78 CHRM2 (0.37) SLC6A4SLC6A3SLC6A2TACR1CHRM2
SCHEMBL436606 0.76 HSD11B1 (0.45) SLC6A4SLC6A3SLC6A2TACR1KCNH2
SCHEMBL2636511 0.75 CHRM2 (0.44) SLC6A4SLC6A3SLC6A2TACR1KCNH2
SCHEMBL15042324 0.75 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2TACR1KCNH2
SCHEMBL15043692 0.75 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL16726984 0.74 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2TACR1KCNH2

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.