SCHEMBL5871001

SCHEMBL5871001

CCC(=O)N(c1ccccc1)C(CCc1ccccc1C)C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MBTPS1 Q14703 1/20 0.39
SLC6A4 P31645 12/20 0.39
SLC6A2 P23975 11/20 0.39
CCR8 P51685 1/20 0.35
SLC6A3 Q01959 10/20 0.35
CYP2D6 P10635 5/20 0.35
KCNH2 Q12809 3/20 0.35
OPRD1 P41143 1/20 0.35
CHRM3 P20309 1/20 0.35
KMT2A Q03164 1/20 0.35
GHSR Q92847 1/20 0.35
IDH1 O75874 1/20 0.34

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 0.90 OPRD1 (0.44) SLC6A4SLC6A2SLC6A3KCNH2OPRD1
SCHEMBL5871033 0.90 OPRD1 (0.44) SLC6A4SLC6A2SLC6A3KCNH2OPRD1
SCHEMBL7498243 0.90 OPRD1 (0.44) SLC6A4SLC6A2SLC6A3KCNH2OPRD1
SCHEMBL5870866 0.88 OPRM1 (0.41) SLC6A4SLC6A2SLC6A3KCNH2OPRD1
SCHEMBL7501264 0.84 OPRD1 (0.42) SLC6A3KCNH2OPRD1CHRM3KMT2A
SCHEMBL5871117 0.83 OPRD1 (0.42) SLC6A3KCNH2OPRD1CHRM3GHSR
SCHEMBL5870950 0.81 OPRD1 (0.41) SLC6A4SLC6A2SLC6A3KCNH2OPRD1
SCHEMBL5870992 0.81 OPRD1 (0.39) SLC6A4SLC6A2SLC6A3KCNH2OPRD1
SCHEMBL3278539 0.80 TRPM8 (0.46) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL3273608 0.80 TRPM8 (0.46) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129228-B2 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR INC. (US) 2006-10-31 US disclosed
US-20040209846-A1 Heterocyclic analgesic compounds and methods of use thereof CUNY GREGORY D (US) 2004-10-21 US disclosed
US-6677332-B1 AMIDE-SUBSTITUTED PIPERIDINE OR AZEPINE DERIVATIVES TO TREAT DRUG ABUSE AND TINNITUS SEPRACOR, INC. 2004-01-13 US disclosed
US-6645980-B1 Ligands for biological receptors such as opiate receptors or G-protein coupled receptors used for treating pain, drug dependence or tinnitus in mammals SEPRACOR INC. 2003-11-11 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 (1 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-20040209846-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 MBTPS1 2519/4885SLC6A4 448/4885SLC6A2 540/4885

“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.