SCHEMBL4872265

SCHEMBL4872265

COc1cccc(C2(C(N)=O)CC3CCC(C2)N3c2ccccc2OC)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
OPRL1 P41146 2/20 0.46
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
SOAT1 P35610 5/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 1/20 0.41
DRD4 P21917 2/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.40
CYP2C9 P11712 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
GRIN2B Q13224 1/20 0.39
GRM5 P41594 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
SCHEMBL4876685 0.96 OPRM1 (0.43) OPRM1OPRL1HTR1AADRA1DADRA1A
SCHEMBL4876688 0.96 OPRM1 (0.43) OPRM1OPRL1HTR1AADRA1DADRA1A
SCHEMBL4872181 0.90 MEN1 (0.44) OPRM1HTR1AADRA1DADRA1AADRA1B
SCHEMBL4879322 0.89 ADAM17 (0.46) HTR1AADRA1DADRA1AADRA1BSOAT1
SCHEMBL4881690 0.87 HTR1A (0.40) OPRM1HTR1AADRA1DADRA1AADRA1B
SCHEMBL4880841 0.86 MEN1 (0.43) HTR1AADRA1DADRA1AADRA1BSOAT1
SCHEMBL4880845 0.86 MEN1 (0.43) HTR1AADRA1DADRA1AADRA1BSOAT1
SCHEMBL4887105 0.85 ADAM17 (0.44) HTR1AADRA1DADRA1AADRA1BSOAT1
SCHEMBL4887108 0.85 ADAM17 (0.44) HTR1AADRA1DADRA1AADRA1BSOAT1
SCHEMBL4881682 0.84 SOAT1 (0.41) OPRM1HTR1AADRA1DADRA1AADRA1B

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 6 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
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 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 1078/4885HTR1A 2072/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 OPRM1 211/4885OPRL1 331/4885HTR1A 1323/4885

“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.