SCHEMBL609608

SCHEMBL609608

O=C(NC1CCC(O)CC1)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
KMT2A Q03164 3/20 0.64
AKR1C3 P42330 2/20 0.64
AKR1C1 Q04828 2/20 0.64
MEN1 O00255 2/20 0.61
TSHR P16473 1/20 0.60
NT5E P21589 1/20 0.57
RAB9A P51151 2/20 0.56
EPHX2 P34913 1/20 0.56
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 1/20 0.53
ATM Q13315 1/20 0.53

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
SCHEMBL4964939 1.00 TDP1 (0.65) TDP1KMT2AAKR1C3AKR1C1MEN1
SCHEMBL609607 1.00 TDP1 (0.65) TDP1KMT2AAKR1C3AKR1C1MEN1
SCHEMBL612184 0.93 TDP1 (0.67) TDP1KMT2AMEN1TSHRRAB9A
SCHEMBL610202 0.93 TDP1 (0.67) TDP1KMT2AMEN1TSHRRAB9A
SCHEMBL610201 0.93 TDP1 (0.67) TDP1KMT2AMEN1TSHRRAB9A
SCHEMBL611212 0.93 TDP1 (0.67) TDP1KMT2AMEN1TSHRRAB9A
SCHEMBL5245326 0.92 KMT2A (0.75) TDP1KMT2AAKR1C3AKR1C1MEN1
SCHEMBL5243916 0.91 KMT2A (0.73) TDP1KMT2AAKR1C3AKR1C1MEN1
SCHEMBL610556 0.91 AKR1C3 (0.61) TDP1KMT2AAKR1C3AKR1C1MEN1
SCHEMBL610557 0.91 AKR1C3 (0.61) TDP1KMT2AAKR1C3AKR1C1MEN1

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 7 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-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals INCYTE CORPORATION 2006-01-05 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
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 US disclosed
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals INCYTE CORPORATION 2006-01-05 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 (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-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS HSD11B1, CYP11B1, HSD3B1 TDP1 2819/4885KMT2A 2726/4885AKR1C3 46/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 TDP1 2527/4885KMT2A 3003/4885AKR1C3 47/4885

“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.