SCHEMBL6486203

SCHEMBL6486203

C=CCN1CCCC(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
ACHE P22303 1/20 0.43
GCGR P47871 2/20 0.40
SCN9A Q15858 1/20 0.40
LIPE Q05469 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR5 P51681 1/20 0.39
NPY2R P49146 1/20 0.39

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
SCHEMBL7724270 0.86 ACHE (0.57) EPHX2KDM4EALDH1A1POLBUBE2M
SCHEMBL7966338 0.79 P2RY1 (0.48) EPHX2KDM4EALDH1A1POLB
SCHEMBL6497878 0.75 PKM (0.47) UBE2MDCUN1D1ACHE
SCHEMBL6486577 0.73 CCR2 (0.50) EPHX2ACHEKMT2A
SCHEMBL25991218 0.70 KMT2A (0.53) EPHX2KDM4EALDH1A1POLBKMT2A
SCHEMBL6500642 0.69 DCUN1D1 (0.55) UBE2MDCUN1D1
SCHEMBL6486209 0.66 EPHX1 (0.42) EPHX2UBE2MDCUN1D1ACHEKMT2A
SCHEMBL13873288 0.65 EPHX2 (1.00) EPHX2KDM4EALDH1A1POLBACHE
SCHEMBL1941707 0.64 EPHX2 (0.65) EPHX2POLBACHEKMT2A
SCHEMBL6287578 0.64 NR3C1 (0.49) EPHX2ACHESCN9AKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946477-B2 3-Substituted piperidines comprising urea functionality, and methods of use thereof SEPRACOR INC. (US) 2005-09-20 US disclosed
US-20030114436-A1 3-substituted piperidines comprising urea functionality, and methods of use thereof AQUILA BRIAN M (US) 2003-06-19 US disclosed
US-6476050-B2 ANALGESICS; LIGANDS FOR VARIOUS CELLULAR RECEPTORS, INCLUDING OPIOID RECEPTORS, OTHER G-PROTEIN-COUPLED RECEPTORS AND ION CHANNELS SEPRACOR, INC. 2002-11-05 US disclosed
US-20010056090-A1 3-substituted piperidines comprising urea functionality, and methods of use thereof SEPRACOR INC. 2001-12-27 US disclosed
WO-2001068604-A2 3-SUBSTITUTED PIPERIDINES COMPRISING UREA FUNCTIONALITY, AND METHODS OF USE THEREOF SEPRACOR, INC. (US) 2001-09-20 WO 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-20010056090-A1 3-substituted piperidines comprising urea functionality, and methods of use thereof OPRM1, OPRL1, OPRK1 EPHX2 1187/4885KDM4E 3251/4885ALDH1A1 1031/4885
US-20030114436-A1 3-substituted piperidines comprising urea functionality, and methods of use thereof OPRM1, OPRL1, OPRK1 EPHX2 1187/4885KDM4E 3251/4885ALDH1A1 1031/4885

“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.