SCHEMBL807181

SCHEMBL807181

CC1CC(C(C)C)CN(Cc2cnc3ccccc3c2)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
DPP8 Q6V1X1 1/20 0.47
FAAH O00519 12/20 0.45
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
DOCK5 Q9H7D0 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
SCHEMBL15084324 0.89 DPP4 (0.54) DPP4DPP8FAAHHCRTR1HCRTR2
SCHEMBL807185 0.77 FAAH (0.43) FAAHHCRTR1HCRTR2
SCHEMBL18780582 0.76 DPP4 (0.59) DPP4DPP8FAAHDOCK5
SCHEMBL20936951 0.74 DPP4 (0.57) DPP4DPP8FAAHHCRTR1HCRTR2
SCHEMBL6797082 0.74 DPP4 (0.54) DPP4DPP8FAAHDOCK5
SCHEMBL807184 0.71 FAAH (0.45) FAAHHCRTR1HCRTR2
SCHEMBL27267535 0.70 FAAH (0.58) DPP4DPP8FAAH
SCHEMBL15082011 0.69 ALDH1A1 (0.45)
SCHEMBL15081988 0.69 KDM4E (0.57)
SCHEMBL806905 0.69 ALDH1A1 (0.45)

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-9242981-B2 Fused pyrazole derivatives as novel ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 US disclosed
WO-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 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-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MAPK1, MAPK3, MAP3K1 DPP4 2540/4885DPP8 2084/4885FAAH 4421/4885

“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.