SCHEMBL237235

SCHEMBL237235

CC(C)(C)C1CC(F)(c2ccccc2)CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.35
OPRM1 P35372 4/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
GRIN1 Q05586 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
OPRL1 P41146 1/20 0.34
RIPK1 Q13546 1/20 0.34
ALOX15 P16050 1/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
CNR2 P34972 3/20 0.34
CNR1 P21554 1/20 0.34
MGLL Q99685 1/20 0.33

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
SCHEMBL18689716 0.82 DRD2 (0.44) OPRM1GRIN2BOPRL1OPRD1OPRK1
SCHEMBL28577569 0.81 ALOX15 (0.45) OPRM1KCNH2OPRL1ALOX15OPRD1
SCHEMBL627463 0.73
SCHEMBL12469550 0.73 HSD11B1 (0.46) OGAOPRM1MGLLGRM2LMNA
SCHEMBL4152521 0.73 HDAC4 (0.39) OPRM1GRIN2BOPRL1OPRD1OPRK1
SCHEMBL2527302 0.72 TET3 (0.37) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL2887784 0.71 CHRM2 (0.30) CHRM2CHRM1
SCHEMBL21825490 0.71
SCHEMBL16423296 0.71 CCR2 (0.40) OPRM1HSD11B1
SCHEMBL15993173 0.71 TRPV1 (0.35)

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-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 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-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS OGA 1533/4885OPRM1 2336/4885GRIN2D 4858/4885

“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.