SCHEMBL612159

SCHEMBL612159

O=C(NC1CCC(O)CC1)[C@H]1CCCN(S(=O)(=O)c2cccc(Oc3ccccc3)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 2/20 0.53
AKR1C3 P42330 3/20 0.51
EIF2AK3 Q9NZJ5 1/20 0.51
POLB P06746 1/20 0.51
NT5E P21589 1/20 0.51
EPHX2 P34913 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL612158 1.00 TSHR (0.54) TSHRTDP1RAB9ANPC1ATM
SCHEMBL609271 0.93 KMT2A (0.62) TSHRTDP1RAB9ANPC1ATM
SCHEMBL609272 0.93 KMT2A (0.62) TSHRTDP1RAB9ANPC1ATM
SCHEMBL613333 0.92 TSHR (0.64) TSHRRAB9AKMT2AAKR1C3POLB
SCHEMBL28765395 0.92 TSHR (0.64) TSHRRAB9AKMT2AAKR1C3POLB
SCHEMBL610278 0.90 RAB9A (0.58) TSHRTDP1RAB9ANPC1ATM
SCHEMBL4967726 0.90 RAB9A (0.58) TSHRTDP1RAB9ANPC1ATM
SCHEMBL610279 0.90 RAB9A (0.58) TSHRTDP1RAB9ANPC1ATM
SCHEMBL612546 0.89 RAB9A (0.55) TSHRTDP1RAB9ANPC1ATM
SCHEMBL612547 0.89 RAB9A (0.55) TSHRTDP1RAB9ANPC1ATM

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 TSHR 1143/4885TDP1 2819/4885RAB9A 2691/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 TSHR 1444/4885TDP1 2527/4885RAB9A 2077/4885

“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.