SCHEMBL4872045

SCHEMBL4872045

COCCOc1ccccc1N1CCC(C#N)(c2cccc(OC)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
SOAT1 P35610 3/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
ABCB1 P08183 4/20 0.43
DRD2 P14416 4/20 0.43
HTR1A P08908 1/20 0.41
DRD4 P21917 2/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL4870906 0.88 KMT2A (0.67) KMT2ASOAT1ADRA1DADRA1AADRA1B
SCHEMBL4881014 0.87 KMT2A (0.57) KMT2ASOAT1ADRA1DADRA1AADRA1B
SCHEMBL4880432 0.84 KMT2A (0.62) KMT2ASOAT1ADRA1DADRA1AADRA1B
SCHEMBL5475094 0.83 KMT2A (0.55) KMT2ASOAT1ADRA1DADRA1AADRA1B
SCHEMBL5480775 0.81 KMT2A (0.57) KMT2ASOAT1ADRA1DADRA1AADRA1B
SCHEMBL5470593 0.81 KMT2A (0.52) KMT2AADRA1DADRA1AADRA1BDRD2
SCHEMBL4876812 0.81 SOAT1 (0.49) KMT2ASOAT1DRD2DRD4
SCHEMBL4873692 0.81 SOAT1 (0.51) SOAT1DRD2DRD4
SCHEMBL4876804 0.81 KMT2A (0.66) KMT2ASOAT1PDE4B
SCHEMBL5470053 0.79 KMT2A (0.55) KMT2ASOAT1ADRA1DADRA1AADRA1B

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 KMT2A 1132/4885SOAT1 502/4885ADRA1D 310/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885SOAT1 1040/4885ADRA1D 172/4885

“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.