SCHEMBL5342972

SCHEMBL5342972

CCC1(CC)CC(NC(N)=O)CC(C)(C)N1OC(C)c1ccccc1.c1cc2ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HTT P42858 1/20 0.36
TACR1 P25103 2/20 0.35
TSHR P16473 1/20 0.33
LPAR1 Q92633 1/20 0.33
TACR3 P29371 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAAA Q02083 1/20 0.32
CTSK P43235 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL5347709 0.97 POLB (0.40) POLBHTTTACR1TSHRTACR3
SCHEMBL5346731 0.88 TACR1 (0.43) POLBHTTTACR1TSHRTACR3
SCHEMBL5353821 0.87 POLB (0.40) POLBHTTTACR1TSHRTACR3
SCHEMBL5347316 0.87 HTT (0.43) POLBHTTTACR1TSHRTACR3
SCHEMBL5344532 0.87 POLB (0.40) POLBHTTTACR1TSHRTACR3
SCHEMBL5341114 0.86 EZH2 (0.43) POLBHTTHPGD
SCHEMBL5347456 0.86 POLB (0.39) POLBHTTTACR1TSHRTACR3
SCHEMBL5344713 0.85 POLB (0.38) POLBHTTTACR1TSHRTACR3
SCHEMBL28748093 0.85 POLB (0.38) POLBHTTTACR1TSHRTACR3
SCHEMBL5344995 0.85 LMNA (0.44) POLBHTTTSHRALDH1A1HPGD

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-7160966-B2 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2007-01-09 US disclosed
US-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides NESVADBA PETER (CH) 2005-06-30 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-20050143539-A1 2,2,6,6 Diethyl-dimethyl-1-alkoxy-piperidine compounds and their corresponding 1-oxides ALKBH2, NFE2L2, DPYSL2 POLB 465/4885HTT 3742/4885TACR1 3487/4885

“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.