SCHEMBL13755345

SCHEMBL13755345

CC(C)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.65
SLC6A3 Q01959 17/20 0.65
CYP3A4 P08684 2/20 0.60
ALOX15 P16050 2/20 0.60
TSHR P16473 2/20 0.60
TP53 P04637 1/20 0.60
SLC6A2 P23975 9/20 0.58
KCNH2 Q12809 3/20 0.58
CHRM2 P08172 1/20 0.58
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
HTR2A P28223 1/20 0.58
OPRK1 P41145 1/20 0.58
HTR2B P41595 1/20 0.58
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
HDAC4 P56524 1/20 0.41

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
SCHEMBL13332852 0.96 SLC6A4 (0.70) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL13755348 0.94 SLC6A4 (0.73) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL12263179 0.91 SLC6A4 (0.58) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL10623441 0.84 SLC6A4 (0.89) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL10623638 0.81 SLC6A3 (0.65) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL2504 0.81 SLC6A4 (0.90) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL14068878 0.80 CYP3A4 (0.69) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL11106885 0.80 SLC6A4 (0.56) SLC6A4SLC6A3CYP3A4ALOX15TSHR
SCHEMBL13523842 0.80 CYP3A4 (0.69) SLC6A4SLC6A3CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL2185 0.80 SLC6A4 (0.66) SLC6A4SLC6A3CYP3A4ALOX15TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200299292-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-A]PYRIDINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2020-09-24 US disclosed
US-20190031657-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-A]PYRIDINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2019-01-31 US disclosed
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-08-27 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 (3 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-20200299292-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-A]PYRIDINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD4, BRD3, BRPF3 SLC6A4 4778/4885SLC6A3 4611/4885CYP3A4 2820/4885
US-20190031657-A1 SUBSTITUTED [1,2,4]TRIAZOLO[4,3-A]PYRIDINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD4, BRD3, BRPF3 SLC6A4 4778/4885SLC6A3 4611/4885CYP3A4 2820/4885
US-20090215779-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT2, GPR119, DGAT1 SLC6A4 1186/4885SLC6A3 372/4885CYP3A4 889/4885

“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.