SCHEMBL4237182

SCHEMBL4237182

Cc1ccccc1CC(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
CHRM2 P08172 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL9750477 0.79 SLC6A2 (0.47) TAAR1PPARGPPARASLC6A2SLC6A4
SCHEMBL29560806 0.78 GABRA1 (0.54) TAAR1PPARGPPARASLC6A2SLC6A4
SCHEMBL5499384 0.78 GABRA1 (0.54) TAAR1PPARGPPARASLC6A2SLC6A4
SCHEMBL508570 0.78 GABRA1 (0.54) TAAR1PPARGPPARASLC6A2SLC6A4
SCHEMBL8871963 0.77 PPARG (0.48) TAAR1PPARGPPARAKMT2ADPP4
Ammonia Solution, Strong SCHEMBL16099684 0.76 GABRA1 (0.52) TAAR1PPARGPPARASLC6A2SLC6A4
SCHEMBL13812287 0.76 TAAR1 (0.46) TAAR1PPARGPPARASLC6A2SLC6A4
SCHEMBL1261200 0.76 TAAR1 (0.46) TAAR1PPARGPPARASLC6A2SLC6A4
SCHEMBL8566389 0.76 TAAR1 (0.46) TAAR1PPARGPPARASLC6A2SLC6A4
SCHEMBL11278775 0.76 TAAR1 (0.42) TAAR1PPARGPPARASLC6A2SLC6A4

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-7521464-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. (US) 2009-04-21 US disclosed
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 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-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome APP, BACE1, PSEN1 TAAR1 1025/4885PPARG 2127/4885PPARA 1412/4885

“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.