SCHEMBL5475902

SCHEMBL5475902

COc1cccc(C2(C#N)CCN(c3ncccc3OCc3ccccc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
AOC3 Q16853 1/20 0.42
ABCB1 P08183 3/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
MAOB P27338 2/20 0.40
FAAH O00519 1/20 0.40
NAAA Q02083 1/20 0.40
OPRM1 P35372 1/20 0.39
KIT P10721 1/20 0.39
TLR7 Q9NYK1 2/20 0.39
ALDH1A1 P00352 2/20 0.38
SGMS2 Q8NHU3 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL4868290 0.88 KMT2A (0.62) KMT2AAOC3HTR1ADRD2OPRM1
SCHEMBL4881014 0.87 KMT2A (0.57) KMT2AABCB1HTR1ADRD2MAOB
SCHEMBL5469551 0.83 KMT2A (0.53) KMT2AABCB1HTR1ADRD2MAOB
SCHEMBL5470593 0.81 KMT2A (0.52) KMT2AHTR1ADRD2MAOBALDH1A1
SCHEMBL4881609 0.79 KMT2A (0.69) KMT2ADRD2OPRM1ALDH1A1
SCHEMBL4876711 0.76 KMT2A (0.72) KMT2AOPRM1ALDH1A1
SCHEMBL4870906 0.76 KMT2A (0.67) KMT2AHTR1ADRD2
SCHEMBL4872137 0.76 OPRM1 (0.70) KMT2AOPRM1ALDH1A1
Hydrochloric Acid SCHEMBL8355555 0.75 OPRM1 (0.68) KMT2AOPRM1ALDH1A1
SCHEMBL4872045 0.74 KMT2A (0.58) KMT2AABCB1HTR1ADRD2

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-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-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 (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-20050165057-A1 Novel piperidine derivative ACAT2, ACAT1, LCAT KMT2A 402/4885AOC3 2568/4885ABCB1 915/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885AOC3 4145/4885ABCB1 592/4885

“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.