SCHEMBL610187

SCHEMBL610187

O=C(NC1CCC(O)CC1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 1/20 0.72
AKR1C3 P42330 4/20 0.69
TDP1 Q9NUW8 1/20 0.60
RAB9A P51151 2/20 0.59
AKR1C1 Q04828 1/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 2/20 0.58
NPC1 O15118 1/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 1/20 0.56
NT5E P21589 1/20 0.56
TPSAB1 Q15661 1/20 0.54
CCR4 P51679 2/20 0.52
MCOLN3 Q8TDD5 2/20 0.51

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
SCHEMBL610186 1.00 EIF2AK3 (0.72) EIF2AK3AKR1C3TDP1RAB9AAKR1C1
SCHEMBL5244699 0.92 EIF2AK3 (0.74) EIF2AK3AKR1C3TDP1RAB9AAKR1C1
SCHEMBL611212 0.87 TDP1 (0.67) TDP1RAB9AKMT2ATSHRMEN1
SCHEMBL612184 0.87 TDP1 (0.67) TDP1RAB9AKMT2ATSHRMEN1
SCHEMBL610202 0.87 TDP1 (0.67) TDP1RAB9AKMT2ATSHRMEN1
SCHEMBL610201 0.87 TDP1 (0.67) TDP1RAB9AKMT2ATSHRMEN1
SCHEMBL4010826 0.86 EIF2AK3 (0.73) EIF2AK3AKR1C3RAB9AAKR1C1KMT2A
SCHEMBL4010822 0.86 EIF2AK3 (0.73) EIF2AK3AKR1C3RAB9AAKR1C1KMT2A
SCHEMBL4964939 0.85 TDP1 (0.65) AKR1C3TDP1RAB9AAKR1C1KMT2A
SCHEMBL609607 0.85 TDP1 (0.65) AKR1C3TDP1RAB9AAKR1C1KMT2A

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 EIF2AK3 2806/4885AKR1C3 46/4885TDP1 2819/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 EIF2AK3 2000/4885AKR1C3 47/4885TDP1 2527/4885

“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.