SCHEMBL19504741

SCHEMBL19504741

COC1(C(F)(F)F)CCN(C(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRM1 P35372 1/20 0.36
GRIN1 Q05586 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
HSD11B1 P28845 1/20 0.31

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
SCHEMBL6121206 0.79 GRIN2D (0.33) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL20781805 0.78 ALDH1A1 (0.32) HSD11B1
SCHEMBL24865146 0.78 GAA (0.31)
SCHEMBL13599980 0.77
SCHEMBL20147958 0.74 GRIN2D (0.38) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL19504477 0.73 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL23666996 0.72
SCHEMBL10205023 0.71 GRIN2D (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL16662245 0.71 GRIN2D (0.39) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL17711700 0.70

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 GRIN2D 3129/4885GRIN3B 1716/4885CHRM2 1610/4885

“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.