SCHEMBL4880841

SCHEMBL4880841

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIN2B Q13224 4/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
BACE1 P56817 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
SOAT1 P35610 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4880845 1.00 MEN1 (0.43) MEN1KMT2AGRIN2BMAPTALDH1A1
SCHEMBL4872181 0.96 MEN1 (0.44) MEN1KMT2AGRIN2BMAPTALDH1A1
SCHEMBL4876688 0.91 OPRM1 (0.43) MEN1KMT2AGRIN2BALDH1A1HTR1A
SCHEMBL4887105 0.91 ADAM17 (0.44) MEN1KMT2AGRIN2BMAPTALDH1A1
SCHEMBL4876685 0.91 OPRM1 (0.43) MEN1KMT2AGRIN2BALDH1A1HTR1A
SCHEMBL4887108 0.91 ADAM17 (0.44) MEN1KMT2AGRIN2BMAPTALDH1A1
SCHEMBL4879322 0.86 ADAM17 (0.46) MEN1KMT2AGRIN2BALDH1A1HTR1A
SCHEMBL4872265 0.86 OPRM1 (0.46) MEN1KMT2AGRIN2BALDH1A1HTR1A
Hydrochloric Acid SCHEMBL4881188 0.86 CTSD (0.38) MEN1KMT2AALDH1A1MAPK1HTR1A
Hydrochloric Acid SCHEMBL4881179 0.85 MAPK1 (0.38) MEN1KMT2AGRIN2BMAPTALDH1A1

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 MEN1 3740/4885KMT2A 1132/4885GRIN2B 784/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 MEN1 3200/4885KMT2A 1301/4885GRIN2B 1383/4885

“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.