SCHEMBL10178092

SCHEMBL10178092

CC(C)CCC1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.45
SLC6A3 Q01959 10/20 0.45
SLC6A2 P23975 3/20 0.45
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2A P28223 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP19A1 P11511 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
SCHEMBL2379038 0.93 SLC6A4 (0.50) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL15042453 0.93 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL12000482 0.91 SLC6A4 (0.57) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL10336426 0.90 CYP3A4 (0.50) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
Hydrochloric Acid SCHEMBL10336936 0.89 CYP3A4 (0.49) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL15042375 0.82 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL14349294 0.81 SLC6A3 (0.47) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL6535769 0.80 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL15043692 0.79 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL1836271 0.76 SLC6A4 (0.44) 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.