SCHEMBL6499006

SCHEMBL6499006

CCNC(=O)N(c1ccccc1)C(CCc1ccccc1)C1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
OPRD1 P41143 3/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 2/20 0.35
ACE P12821 1/20 0.35
CPN1 P15169 1/20 0.34
CPB2 Q96IY4 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
EPHX1 P07099 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SSTR4 P31391 1/20 0.34
MEN1 O00255 1/20 0.34
JAK3 P52333 1/20 0.34
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL7503837 0.87 OPRD1 (0.44) OPRD1KMT2AOPRM1
SCHEMBL5871033 0.87 OPRD1 (0.44) OPRD1KMT2AOPRM1
SCHEMBL7498243 0.87 OPRD1 (0.44) OPRD1KMT2AOPRM1
SCHEMBL7497373 0.85 SLC6A2 (0.41) EPHX2HPGDKMT2ACPN1CPB2
SCHEMBL7492223 0.83 HTT (0.39) OPRD1KMT2ACPN1CPB2TSHR
SCHEMBL7498124 0.82 OPRD1 (0.36) OPRD1KMT2ABRD4CREBBPOPRM1
SCHEMBL5870866 0.81 OPRM1 (0.41) OPRD1OPRM1
SCHEMBL7501264 0.81 OPRD1 (0.42) EPHX2OPRD1KMT2AOPRM1
SCHEMBL5871117 0.80 OPRD1 (0.42) EPHX2OPRD1EPHX1OPRM1
SCHEMBL7493491 0.80 OPRM1 (0.43) OPRD1KMT2AOPRM1

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 1187/4885OPRD1 5/4885HPGD 490/4885
US-20030114436-A1 3-substituted piperidines comprising urea functionality, and methods of use thereof OPRM1, OPRL1, OPRK1 EPHX2 1187/4885OPRD1 5/4885HPGD 490/4885

“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.