SCHEMBL5469239

SCHEMBL5469239

CCOc1cccc([C@]2(C#N)CC[C@@H](N3CCN(C(=O)O)CC3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
PDE4B Q07343 4/20 0.42
PDE4A P27815 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
CYP2D6 P10635 2/20 0.42
MGLL Q99685 3/20 0.42
NPY1R P25929 1/20 0.41
TET3 O43151 1/20 0.40
FBXL19 Q6PCT2 1/20 0.40
CXXC5 Q7LFL8 1/20 0.40
TET1 Q8NFU7 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
CXXC4 Q9H2H0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL5469243 1.00 KMT2A (0.48) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL5469237 1.00 KMT2A (0.48) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL4882462 0.89 KMT2A (0.57) KMT2APDE4BCYP2D6MGLLKDM2B
SCHEMBL4882471 0.89 KMT2A (0.57) KMT2APDE4BCYP2D6MGLLKDM2B
SCHEMBL4882467 0.89 KMT2A (0.57) KMT2APDE4BCYP2D6MGLLKDM2B
SCHEMBL5478489 0.89 ALDH1A1 (0.43) KMT2ACYP2D6MGLLKDM4EALDH1A1
SCHEMBL5470491 0.89 ALDH1A1 (0.43) KMT2ACYP2D6MGLLKDM4EALDH1A1
SCHEMBL5470488 0.89 ALDH1A1 (0.43) KMT2ACYP2D6MGLLKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5466085 0.83 KMT2A (0.46) KMT2APDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL5466083 0.83 KMT2A (0.46) KMT2APDE4BPDE4APDE4CPDE4D

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 2 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
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 (1 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-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885PDE4B 1491/4885PDE4A 1440/4885

“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.