SCHEMBL16944608

SCHEMBL16944608

Cc1cnc(N2CCC(NC3CCCCC3)CC2)c(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 20/20 1.00

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
SCHEMBL16944619 0.83 OPRK1 (1.00) OPRK1
SCHEMBL16944654 0.83 OPRK1 (1.00) OPRK1
SCHEMBL16944947 0.82 OPRK1 (1.00) OPRK1
SCHEMBL17703510 0.81 OPRK1 (0.67) OPRK1
SCHEMBL16944618 0.81 OPRK1 (1.00) OPRK1
SCHEMBL21171251 0.81 OPRK1 (0.72) OPRK1
SCHEMBL31722781 0.80 OPRK1 (0.67) OPRK1
SCHEMBL21171252 0.80 OPRK1 (0.79) OPRK1
SCHEMBL21170992 0.80 OPRK1 (0.86) OPRK1
SCHEMBL16948667 0.79 OPRK1 (0.70) OPRK1

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-20180099954-A1 NOVEL KAPPA OPIOID LIGANDS SCRIPPS RESEARCH INST (US) 2018-04-12 — — US disclosed
US-9682966-B2 Kappa opioid ligands THE SCRIPPS RESEARCH INSTITUTE (US) 2017-06-20 — — US disclosed
US-20150210673-A1 NOVEL KAPPA OPIOID LIGANDS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-07-30 — — 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-20150210673-A1 NOVEL KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRL1 OPRK1 1/4885
US-20180099954-A1 NOVEL KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRL1 OPRK1 1/4885

“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.

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