SCHEMBL4876685

SCHEMBL4876685

COc1cccc([C@]2(C(N)=O)C[C@H]3CCC[C@@H](C2)N3c2ccccc2OC)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
BACE1 P56817 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KDM1A O60341 1/20 0.39
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SOAT1 P35610 3/20 0.39
SLC6A4 P31645 1/20 0.39
GRIN2B Q13224 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
SCHEMBL4876688 1.00 OPRM1 (0.43) OPRM1OPRL1CTSDCTSEBACE1
SCHEMBL4872265 0.96 OPRM1 (0.46) OPRM1OPRL1MEN1KMT2AHTR1A
SCHEMBL4880845 0.91 MEN1 (0.43) CTSDCTSEBACE1MEN1KMT2A
SCHEMBL4880841 0.91 MEN1 (0.43) CTSDCTSEBACE1MEN1KMT2A
SCHEMBL4887105 0.90 ADAM17 (0.44) CTSDCTSEBACE1MEN1KMT2A
SCHEMBL4887108 0.90 ADAM17 (0.44) CTSDCTSEBACE1MEN1KMT2A
Hydrochloric Acid SCHEMBL4881188 0.87 CTSD (0.38) CTSDCTSEBACE1MEN1KMT2A
SCHEMBL4872181 0.86 MEN1 (0.44) OPRM1MEN1KMT2AHTR1AADRA1D
SCHEMBL4879322 0.85 ADAM17 (0.46) MEN1KMT2AHTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL4881179 0.84 MAPK1 (0.38) MEN1KMT2ADRD4DRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP 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 (2 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 OPRM1 1290/4885OPRL1 1078/4885CTSD 2905/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 OPRM1 211/4885OPRL1 331/4885CTSD 2063/4885

“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.