SCHEMBL4728196

SCHEMBL4728196

COc1cccc(CC(CO)N(C=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSK P43235 1/20 0.39
CMA1 P23946 1/20 0.37
CYP1A2 P05177 1/20 0.37
IDO1 P14902 1/20 0.37
AGXT P21549 1/20 0.37

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
SCHEMBL4729932 0.86 MAPK1 (0.39) KMT2A
SCHEMBL6400372 0.83 OPRK1 (0.40) TAAR1OPRM1OPRD1OPRK1MEN1
SCHEMBL4729192 0.83 OPRK1 (0.40) TAAR1OPRM1OPRD1OPRK1MEN1
SCHEMBL4894642 0.81 HEXA (0.43) TAAR1MEN1KMT2ACMA1
SCHEMBL4728453 0.76 SLC6A2 (0.35) CTSKCYP1A2
SCHEMBL4730804 0.74 SMN1; SMN2 (0.37) MEN1KMT2ACTSKCMA1CYP1A2
SCHEMBL4895988 0.74 OPRK1 (0.38) TAAR1OPRM1OPRD1OPRK1MEN1
SCHEMBL8438254 0.73 CYP2D6 (0.33) IDO1
SCHEMBL6401312 0.72 CA1 (0.40)
SCHEMBL24925835 0.72 TAAR1 (0.67) TAAR1CHRM2CHRM1CHRM3CMA1

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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR TAAR1 2754/4885OPRM1 3065/4885OPRD1 3132/4885

“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.