SCHEMBL1785222

SCHEMBL1785222

CC1(C)CCC(N(CCOc2ccc(-c3cccc(C#N)c3)cc2)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
MMP2 P08253 5/20 0.41
MMP3 P08254 2/20 0.41
BACE1 P56817 1/20 0.37
MCHR1 Q99705 5/20 0.37
PGR P06401 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
GPR119 Q8TDV5 2/20 0.35
CNR2 P34972 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL3338423 0.88 HRH2 (0.46) HRH2HRH1MMP2MMP3BACE1
SCHEMBL12607429 0.84 FYN (0.42)
SCHEMBL12607437 0.84 CYP1A2 (0.39) HRH3
SCHEMBL12607431 0.83 KIF11 (0.40) GPR119
SCHEMBL1785777 0.82 GPR119 (0.40) BACE1GPR119
SCHEMBL12607465 0.81 MAPT (0.41) GPR119
SCHEMBL1786986 0.80 LSS (0.43) GPR119
SCHEMBL1788288 0.80 ALDH1A1 (0.41) MCHR1HRH3
SCHEMBL12651138 0.80 CPT2 (0.39) GPR119
SCHEMBL12607436 0.79 CYP1A2 (0.45) HRH3GPR119

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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 HRH2 416/4885HRH1 437/4885MMP2 4413/4885

“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.