SCHEMBL611809

SCHEMBL611809

CN(C(=O)O)C1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.69
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 4/20 0.59
ALDH1A1 P00352 2/20 0.59
TSHR P16473 1/20 0.58
EPHX2 P34913 1/20 0.56
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP2C19 P33261 1/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
CCR6 P51684 1/20 0.52

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
SCHEMBL611808 1.00 TDP1 (0.69) TDP1KMT2AMEN1LMNAALDH1A1
SCHEMBL611585 0.86 TDP1 (0.69) TDP1KMT2AMEN1LMNAALDH1A1
SCHEMBL611586 0.86 TDP1 (0.69) TDP1KMT2AMEN1LMNAALDH1A1
SCHEMBL5991717 0.86 TDP1 (0.68) TDP1KMT2AMEN1LMNAALDH1A1
SCHEMBL5991712 0.86 TDP1 (0.68) TDP1KMT2AMEN1LMNAALDH1A1
SCHEMBL612912 0.85 KMT2A (0.78) TDP1KMT2AMEN1LMNAALDH1A1
SCHEMBL611344 0.85 KMT2A (0.78) TDP1KMT2AMEN1LMNAALDH1A1
SCHEMBL612184 0.85 TDP1 (0.67) TDP1KMT2AMEN1LMNAALDH1A1
SCHEMBL610201 0.85 TDP1 (0.67) TDP1KMT2AMEN1LMNAALDH1A1
SCHEMBL610202 0.85 TDP1 (0.67) TDP1KMT2AMEN1LMNAALDH1A1

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-8288417-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-10-16 US claimed
US-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-02-16 US claimed
US-8288417-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-10-16 US disclosed
US-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-02-16 US 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-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS HSD11B1, CYP11B1, HSD3B1 TDP1 2819/4885KMT2A 2726/4885MEN1 1779/4885

“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.