SCHEMBL4881014

SCHEMBL4881014

COc1cccc(C2(C#N)CCN(c3ccccc3OCc3ccccc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
HTR1A P08908 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ABCB1 P08183 4/20 0.44
DRD2 P14416 2/20 0.44
LMNA P02545 1/20 0.43
MAOB P27338 1/20 0.43
FAAH O00519 1/20 0.43
NAAA Q02083 1/20 0.43
HTR6 P50406 1/20 0.43
SOAT1 P35610 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL5470593 0.92 KMT2A (0.52) KMT2AADRA1DADRA1AADRA1BHTR1A
SCHEMBL5469551 0.92 KMT2A (0.53) KMT2AADRA1DADRA1AADRA1BHTR1A
SCHEMBL4870906 0.87 KMT2A (0.67) KMT2AADRA1DADRA1AADRA1BHTR1A
SCHEMBL4872045 0.87 KMT2A (0.58) KMT2AADRA1DADRA1AADRA1BHTR1A
SCHEMBL5475902 0.87 KMT2A (0.53) KMT2AHTR1AABCB1DRD2MAOB
SCHEMBL4880432 0.83 KMT2A (0.62) KMT2AADRA1DADRA1AADRA1BHTR1A
SCHEMBL5475094 0.82 KMT2A (0.55) KMT2AADRA1DADRA1AADRA1BHTR1A
SCHEMBL5480775 0.82 KMT2A (0.57) KMT2AADRA1DADRA1AADRA1BHTR1A
SCHEMBL4876804 0.80 KMT2A (0.66) KMT2ASOAT1OPRM1
SCHEMBL4876711 0.79 KMT2A (0.72) KMT2ASOAT1OPRM1

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
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
US-20050165057-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-07-28 US disclosed
EP-1500648-A1 NOVEL PIPERIDINE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 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 (3 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 1132/4885ADRA1D 310/4885ADRA1A 691/4885
US-20050165057-A1 Novel piperidine derivative ACAT2, ACAT1, LCAT KMT2A 402/4885ADRA1D 260/4885ADRA1A 584/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885ADRA1D 172/4885ADRA1A 334/4885

“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.