SCHEMBL4879322

SCHEMBL4879322

COC(=O)C1(c2cccc(OC)c2)CC2CCC(C1)N2c1ccccc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.46
SOAT1 P35610 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
GRIN2B Q13224 3/20 0.41
GRM5 P41594 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD4 P21917 3/20 0.40
DRD2 P14416 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL4887108 0.96 ADAM17 (0.44) ADAM17SOAT1MEN1KMT2AHTR1A
SCHEMBL4887105 0.96 ADAM17 (0.44) ADAM17SOAT1MEN1KMT2AHTR1A
SCHEMBL4872181 0.90 MEN1 (0.44) SOAT1MEN1KMT2AHTR1AADRA1D
SCHEMBL4872265 0.89 OPRM1 (0.46) SOAT1MEN1KMT2AHTR1AADRA1D
SCHEMBL4881690 0.89 HTR1A (0.40) ADAM17SOAT1MEN1KMT2AHTR1A
SCHEMBL4880841 0.86 MEN1 (0.43) SOAT1MEN1KMT2AHTR1AADRA1D
SCHEMBL4880845 0.86 MEN1 (0.43) SOAT1MEN1KMT2AHTR1AADRA1D
SCHEMBL4881682 0.86 SOAT1 (0.41) ADAM17SOAT1MEN1KMT2AHTR1A
SCHEMBL4876685 0.85 OPRM1 (0.43) SOAT1MEN1KMT2AHTR1AADRA1D
SCHEMBL4876688 0.85 OPRM1 (0.43) SOAT1MEN1KMT2AHTR1AADRA1D

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 ADAM17 4084/4885SOAT1 502/4885MEN1 3740/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 ADAM17 3517/4885SOAT1 1040/4885MEN1 3200/4885

“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.