SCHEMBL10179282

SCHEMBL10179282

CC(C)COCC1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.41
SLC6A3 Q01959 11/20 0.41
SLC6A2 P23975 4/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
KCNH2 Q12809 3/20 0.40
HTR2B P41595 2/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR2A P28223 1/20 0.40
OPRK1 P41145 1/20 0.40
TACR1 P25103 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL15042324 0.94 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL15043643 0.81 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2KCNH2HTR2B
SCHEMBL14349294 0.77 SLC6A3 (0.47) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL12000488 0.76 SLC6A3 (0.53) SLC6A4SLC6A3SLC6A2KCNH2CHRM2
SCHEMBL15043699 0.75 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL15042323 0.74 HTT (0.41) SLC6A4SLC6A3SLC6A2KCNH2TACR1
SCHEMBL10178092 0.74 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL436606 0.72 HSD11B1 (0.45) SLC6A4SLC6A3SLC6A2KCNH2HTR2B
SCHEMBL15042329 0.72 KMT2A (0.43) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL15043635 0.70 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15

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 3 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
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 WO 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.