SCHEMBL807184

SCHEMBL807184

CC1CC(C(C)C)CN(Cc2cc3ccccc3n2C)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
OPRM1 P35372 6/20 0.43
OPRD1 P41143 6/20 0.43
OPRK1 P41145 6/20 0.43
OPRL1 P41146 6/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
KDM1A O60341 1/20 0.41
MCHR1 Q99705 1/20 0.39

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
SCHEMBL15084329 0.88 FAAH (0.51) FAAHHCRTR1HCRTR2KDM1AMCHR1
SCHEMBL15081965 0.81 OPRM1 (0.53) FAAHOPRM1OPRD1OPRK1OPRL1
SCHEMBL15084309 0.76 HRH3 (0.48) FAAHMCHR1
SCHEMBL14375252 0.75 ACHE (0.55) FAAHKDM1AMCHR1
SCHEMBL807185 0.72 FAAH (0.43) FAAHOPRM1OPRD1OPRK1HCRTR1
SCHEMBL807181 0.71 DPP4 (0.47) FAAHHCRTR1HCRTR2
SCHEMBL15081988 0.70 KDM4E (0.57)
SCHEMBL15082011 0.70 ALDH1A1 (0.45)
SCHEMBL806905 0.70 ALDH1A1 (0.45)
SCHEMBL807593 0.70 FAAH (0.57) FAAHOPRM1OPRD1OPRK1OPRL1

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 FAAH 4421/4885OPRM1 3387/4885OPRD1 2021/4885

“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.