SCHEMBL5465686

SCHEMBL5465686

COc1cccc([C@]2(C#N)CC[C@H](NC3CCN(C(=O)O)CC3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.44
PDE4B Q07343 6/20 0.43
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDE4A P27815 5/20 0.40
PDE4C Q08493 5/20 0.40
PDE4D Q08499 5/20 0.40
OPRD1 P41143 3/20 0.40
GRIN2B Q13224 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
OPRK1 P41145 1/20 0.39
PREP P48147 1/20 0.39

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
SCHEMBL5465691 1.00 KMT2A (0.56) KMT2AALDH1A1TSHRPDE4BMEN1
SCHEMBL5465681 1.00 KMT2A (0.56) KMT2AALDH1A1TSHRPDE4BMEN1
SCHEMBL5470274 0.92 KMT2A (0.56) KMT2AALDH1A1TSHRPDE4BMEN1
SCHEMBL5470275 0.92 KMT2A (0.56) KMT2AALDH1A1TSHRPDE4BMEN1
SCHEMBL4874958 0.88 KMT2A (0.51) KMT2AALDH1A1TSHRMEN1MAPT
SCHEMBL4874949 0.88 KMT2A (0.51) KMT2AALDH1A1TSHRMEN1MAPT
SCHEMBL4874953 0.88 KMT2A (0.51) KMT2AALDH1A1TSHRMEN1MAPT
SCHEMBL5470199 0.86 KMT2A (0.72) KMT2AALDH1A1SIGMAR1
SCHEMBL5470195 0.86 KMT2A (0.72) KMT2AALDH1A1SIGMAR1
SCHEMBL4815730 0.86 KMT2A (0.70) KMT2AALDH1A1PDE4BPDE4APDE4C

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 1301/4885ALDH1A1 2990/4885TSHR 836/4885

“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.