SCHEMBL6486209

SCHEMBL6486209

C=CCC(C1CCCNC1)N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
EPHX2 P34913 7/20 0.39
HTR2C P28335 1/20 0.38
FPR2 P25090 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FAAH O00519 2/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL7978594 0.88 UBE2M (0.44) EPHX1UBE2MDCUN1D1EPHX2HTR2C
SCHEMBL6710676 0.68 SCN9A (0.45) MEN1KMT2A
SCHEMBL23390173 0.67 HTR2C (0.59) EPHX1EPHX2HTR2CMEN1NPC1
SCHEMBL6499006 0.66 EPHX2 (0.36) EPHX1EPHX2MEN1NPC1TSHR
SCHEMBL6486203 0.66 EPHX2 (0.47) UBE2MDCUN1D1EPHX2KMT2AACHE
SCHEMBL5870950 0.64 OPRD1 (0.41) KMT2AL3MBTL1
SCHEMBL17488206 0.63 HTR2C (0.68) EPHX1EPHX2HTR2CMEN1NPC1
SCHEMBL23390079 0.63 HTR2C (0.68) EPHX1EPHX2HTR2CMEN1NPC1
SCHEMBL7492223 0.63 HTT (0.39) MEN1TSHRKMT2A
SCHEMBL5871129 0.63 RPLP1 (0.42)

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 EPHX1 1270/4885UBE2M 663/4885DCUN1D1 3813/4885
US-20030114436-A1 3-substituted piperidines comprising urea functionality, and methods of use thereof OPRM1, OPRL1, OPRK1 EPHX1 1270/4885UBE2M 663/4885DCUN1D1 3813/4885

“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.