SCHEMBL16944947

SCHEMBL16944947

Cc1cnc(-c2cc(C)cnc2N2CCC(NC3CCCCC3)CC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 20/20 1.00
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53

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
SCHEMBL21170992 0.93 OPRK1 (0.86) OPRK1
SCHEMBL18993305 0.83 OPRK1 (1.00) OPRK1OPRM1OPRD1
SCHEMBL16944608 0.82 OPRK1 (1.00) OPRK1
SCHEMBL16945045 0.81 OPRK1 (1.00) OPRK1
SCHEMBL21170929 0.81 OPRK1 (0.75) OPRK1OPRM1OPRD1
SCHEMBL21171251 0.81 OPRK1 (0.72) OPRK1
SCHEMBL16945088 0.80 OPRK1 (1.00) OPRK1
SCHEMBL21171465 0.79 OPRK1 (0.64) OPRK1
SCHEMBL21170987 0.79 OPRK1 (0.64) OPRK1
SCHEMBL18994678 0.78 OPRK1 (1.00) OPRK1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2884978-B1 NOVEL KAPPA OPIOID LIGANDS SCRIPPS RESEARCH INST (US) 2019-07-17 — — EP disclosed
US-20180099954-A1 NOVEL KAPPA OPIOID LIGANDS SCRIPPS RESEARCH INST (US) 2018-04-12 — — US disclosed
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-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
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 1/4885OPRM1 4/4885OPRD1 2/4885
US-20180099954-A1 NOVEL KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRL1 OPRK1 1/4885OPRM1 4/4885OPRD1 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.

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