SCHEMBL13870160

SCHEMBL13870160

CCc1cncc(-c2ccccc2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.45
CYP2A6 P11509 1/20 0.43
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNB3 Q05901 1/20 0.42
TRPA1 O75762 1/20 0.40
CYP3A4 P08684 6/20 0.39
CYP2D6 P10635 5/20 0.39
CYP2C19 P33261 5/20 0.39
CYP1A2 P05177 5/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C9 P11712 2/20 0.38
ALPL P05186 2/20 0.38
CLK4 Q9HAZ1 2/20 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
SCHEMBL11087807 0.80 HTR7 (0.51) HTR7CYP2A6TRPA1CYP1A2TSHR
SCHEMBL12104804 0.78 CYP2A6 (0.55) HTR7CYP2A6CHRNB1CHRNB2CHRNB4
SCHEMBL10271979 0.78 CYP11B1 (0.54) CYP3A4TP53CYP11B1CYP11B2
SCHEMBL7929104 0.77 HTR7 (0.67) HTR7ALDH1A1MAPK1LMNATP53
SCHEMBL5109073 0.75 CYP2A6 (0.51) CYP2A6CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3399384 0.75 LCK (0.46) HTR7CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL1767850 0.74 LCK (0.47) HTR7TRPA1CYP3A4CYP2D6CYP2C19
SCHEMBL21364096 0.74 ALOX5AP (0.41) CYP2A6CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL9817061 0.74 CA12 (0.48) HTR7CYP2A6CYP1A2ALDH1A1MAPK1
SCHEMBL13177775 0.73 CYP1A1 (0.45) CYP2A6CYP11B1CYP11B2

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 6 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-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
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
US-7238721-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-03 US disclosed
US-7238721-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-03 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 HTR7 862/4885CYP2A6 3217/4885CHRNB1 102/4885

“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.