SCHEMBL4491008

SCHEMBL4491008

CCN(CC)C(=O)c1ccc(N(Cc2ccccc2)C2CCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.57
OPRM1 P35372 9/20 0.53
OPRK1 P41145 7/20 0.52
SLC6A2 P23975 4/20 0.50
SLC6A4 P31645 4/20 0.50
SLC6A3 Q01959 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6600494 0.86 SLC6A2 (0.50) OPRD1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL4684474 0.85 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL4492889 0.85 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL4491354 0.83 OPRD1 (0.70) OPRD1OPRM1OPRK1
SCHEMBL27815200 0.83 SLC6A2 (0.54) OPRD1OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL4247136 0.82 CCR5 (0.51) OPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL4497092 0.82 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL4497619 0.82 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL4495917 0.80 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL4309799 0.79 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3

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-7576105-B2 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICA, NV (BE) 2009-08-18 US disclosed
US-20060106066-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives BAXTER ELLEN W 2006-05-18 US disclosed
US-20040082612-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICALS N.V. (BE) 2004-04-29 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-20060106066-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives OPRD1, OPRK1, OPRM1 OPRD1 1/4885OPRM1 3/4885OPRK1 2/4885
US-20040082612-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives OPRD1, OPRK1, OPRM1 OPRD1 1/4885OPRM1 3/4885OPRK1 2/4885

“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.