SCHEMBL2851261

SCHEMBL2851261

CC(C)(C)N(CC1(c2ccccc2)CCNCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
TACR1 P25103 13/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.41
OPRL1 P41146 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4853618 0.84 SLC6A4 (0.51) OPRM1TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL374107 0.77 OPRM1 (0.46) OPRM1TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL16858806 0.77 LMNA (0.37) OPRM1SLC6A2SLC6A4SLC6A3OPRL1
SCHEMBL4630111 0.76 SLC6A2 (0.45) OPRM1TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL8041537 0.76 SLC6A4 (0.69) OPRM1TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL17184552 0.74 KMT2A (0.31) MEN1HTTKMT2AL3MBTL1
SCHEMBL13388154 0.74 KDM4E (0.30) KMT2A
SCHEMBL5265848 0.73 OPRM1 (0.50) OPRM1TACR1SLC6A4
SCHEMBL7305853 0.73 OPRM1 (0.45) OPRM1TACR1SLC6A2SLC6A4SLC6A3
SCHEMBL27854090 0.72 TACR1 (0.51) OPRM1TACR1SLC6A4KMT2A

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-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 US disclosed
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 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-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP OPRM1 3841/4885TACR1 554/4885SLC6A2 670/4885

“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.