SCHEMBL4839293

SCHEMBL4839293

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.40
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 6/20 0.39
OPRD1 P41143 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SLC6A3 Q01959 4/20 0.36
KCNH2 Q12809 2/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM3 P20309 2/20 0.35
EPHX2 P34913 1/20 0.35
SLC22A1 O15245 1/20 0.35
NR1I2 O75469 1/20 0.35
ABCB1 P08183 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MAOA P21397 1/20 0.35
DRD4 P21917 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL5871033 0.84 OPRD1 (0.44) OPRM1SLC6A2SLC6A4OPRD1L3MBTL1
SCHEMBL7498243 0.84 OPRD1 (0.44) OPRM1SLC6A2SLC6A4OPRD1L3MBTL1
SCHEMBL7503837 0.84 OPRD1 (0.44) OPRM1SLC6A2SLC6A4OPRD1L3MBTL1
SCHEMBL5870837 0.81 OPRM1 (0.40) OPRM1SLC6A2SLC6A4OPRD1L3MBTL1
SCHEMBL7497822 0.81 OPRM1 (0.40) OPRM1SLC6A2SLC6A4OPRD1L3MBTL1
SCHEMBL7498252 0.80 OPRM1 (0.39) OPRM1SLC6A2SLC6A4OPRD1
SCHEMBL5870866 0.79 OPRM1 (0.41) OPRM1SLC6A2SLC6A4OPRD1SLC6A3
SCHEMBL7501264 0.78 OPRD1 (0.42) OPRM1OPRD1L3MBTL1SLC6A3KCNH2
SCHEMBL7497373 0.78 SLC6A2 (0.41) OPRM1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5870992 0.78 OPRD1 (0.39) OPRM1SLC6A2SLC6A4OPRD1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234247-A1 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR, INC. (US) 2008-09-25 US disclosed
US-7361666-B2 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR, INC. (US) 2008-04-22 US disclosed
US-20030069418-A1 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR, INC. 2003-04-10 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-20030069418-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 OPRM1 4/4885SLC6A2 540/4885SLC6A4 448/4885
US-20080234247-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 OPRM1 4/4885SLC6A2 540/4885SLC6A4 448/4885

“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.