SCHEMBL2375481

SCHEMBL2375481

NC(Cc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.71
POLB P06746 1/20 0.60
HDAC8 Q9BY41 2/20 0.59
OPRD1 P41143 1/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
FAAH O00519 1/20 0.56
DPP4 P27487 1/20 0.55

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
SCHEMBL2375476 1.00 OPRK1 (0.71) OPRK1POLBHDAC8OPRD1MEN1
SCHEMBL5366189 0.89 HDAC8 (0.59) OPRK1POLBHDAC8OPRD1DPP4
SCHEMBL7364618 0.88 OPRK1 (0.57) OPRK1POLBHDAC8OPRD1DPP4
SCHEMBL6966026 0.88 OPRK1 (0.63) OPRK1POLBMEN1KMT2AFAAH
SCHEMBL7361667 0.86 OPRK1 (0.57) OPRK1POLBHDAC8OPRD1DPP4
SCHEMBL3133533 0.86 OPRD1 (0.65) OPRK1POLBHDAC8OPRD1DPP4
SCHEMBL6161830 0.86 OPRD1 (0.65) OPRK1POLBHDAC8OPRD1DPP4
SCHEMBL2375638 0.85 OPRD1 (0.61) OPRK1POLBHDAC8OPRD1DPP4
SCHEMBL2375634 0.85 OPRD1 (0.61) OPRK1POLBHDAC8OPRD1DPP4
SCHEMBL7360693 0.84 HPGD (0.66) OPRK1POLBHDAC8OPRD1DPP4

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 OPRK1 4074/4885POLB 1882/4885HDAC8 16/4885

“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.