SCHEMBL4839281

SCHEMBL4839281

CCC(=O)N(CC1CCCN(CCc2ccccc2)C1)C(C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.58
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
SLC22A1 O15245 1/20 0.48
NR1I2 O75469 1/20 0.48
ABCB1 P08183 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRM3 P20309 1/20 0.48
MAOA P21397 1/20 0.48
DRD4 P21917 1/20 0.48
MAOB P27338 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD3 P35462 1/20 0.48
CHRNA4 P43681 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL5870685 0.82 OPRD1 (0.62) OPRM1OPRD1OPRK1SLC22A1NR1I2
SCHEMBL5870682 0.82 OPRD1 (0.62) OPRM1OPRD1OPRK1SLC22A1NR1I2
SCHEMBL5870753 0.82 OPRD1 (0.62) OPRM1OPRD1OPRK1SLC22A1NR1I2
SCHEMBL14067865 0.79 OPRM1 (0.51) OPRM1KMT2AALDH1A1
SCHEMBL5870834 0.79 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC22A1NR1I2
SCHEMBL5870832 0.79 OPRM1 (0.55) OPRM1OPRD1OPRK1SLC22A1NR1I2
SCHEMBL5870870 0.79 OPRM1 (0.52) OPRM1OPRD1OPRK1KCNH2SIGMAR1
SCHEMBL5870944 0.77 OPRM1 (0.50) OPRM1OPRD1OPRK1CHRM1CHRM3
SCHEMBL5870718 0.76 ACHE (0.64) OPRM1OPRD1OPRK1SLC22A1NR1I2
SCHEMBL21636271 0.76 KMT2A (0.53) SLC6A3KMT2A

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 7 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-20080234247-A1 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR, INC. (US) 2008-09-25 US disclosed
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-7361666-B2 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR, INC. (US) 2008-04-22 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 4/4885OPRD1 9/4885OPRK1 3/4885
US-20080234247-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 OPRM1 4/4885OPRD1 9/4885OPRK1 3/4885

“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.