SCHEMBL2374672

SCHEMBL2374672

CN(C)[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.64
HDAC8 Q9BY41 3/20 0.54
DPP4 P27487 5/20 0.51
POLB P06746 1/20 0.51
DPP8 Q6V1X1 2/20 0.49
DPP9 Q86TI2 2/20 0.49
DPP7 Q9UHL4 2/20 0.49
FAP Q12884 1/20 0.49
OPRK1 P41145 1/20 0.48
KDM1A O60341 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
TACR1 P25103 1/20 0.47

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
SCHEMBL2374665 1.00 OPRD1 (0.64) OPRD1HDAC8DPP4POLBDPP8
SCHEMBL2373717 1.00 OPRD1 (0.64) OPRD1HDAC8DPP4POLBDPP8
SCHEMBL2374668 1.00 OPRD1 (0.64) OPRD1HDAC8DPP4POLBDPP8
SCHEMBL2373722 1.00 OPRD1 (0.64) OPRD1HDAC8DPP4POLBDPP8
SCHEMBL2373715 1.00 OPRD1 (0.64) OPRD1HDAC8DPP4POLBDPP8
SCHEMBL2374558 0.92 OPRD1 (0.69) OPRD1HDAC8DPP4POLBDPP8
SCHEMBL2374566 0.92 OPRD1 (0.69) OPRD1HDAC8DPP4POLBDPP8
SCHEMBL6052747 0.82 HDAC8 (0.59) OPRD1HDAC8DPP4POLBDPP8
SCHEMBL4095232 0.82 HDAC8 (0.59) OPRD1HDAC8DPP4POLBDPP8
SCHEMBL4086820 0.82 HDAC8 (0.59) OPRD1HDAC8DPP4POLBDPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 OPRD1 3687/4885HDAC8 16/4885DPP4 754/4885

“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.