SCHEMBL970670

SCHEMBL970670

COc1ccc2c(c1)CCC(C(=O)Cl)C2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
ACHE P22303 4/20 0.56
MTNR1A P48039 4/20 0.53
MTNR1B P49286 3/20 0.53
DRD2 P14416 5/20 0.51
DRD3 P35462 5/20 0.51
CYP26A1 O43174 1/20 0.51
CYP19A1 P11511 1/20 0.48
FAAH O00519 2/20 0.46
DRD4 P21917 1/20 0.44

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
SCHEMBL345517 0.88 CA1 (0.56) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8074259 0.88 CA1 (0.56) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8603749 0.88 CA1 (0.56) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8076218 0.87 CA1 (0.59) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL9361122 0.87 CA1 (0.55) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8066286 0.87 CA1 (0.59) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8603697 0.87 CA1 (0.59) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8076235 0.87 CA1 (0.55) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL9361562 0.87 CA1 (0.55) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL346286 0.84 CA1 (0.56) CA1CA2ACHEMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2012-07-12 US disclosed
US-8173678-B2 Kappa opioid receptor ligands RESEARCH TRIANGLE INSTITUTE (US) 2012-05-08 US disclosed
EP-1848275-B1 KAPPA OPIOID RECEPTOR LIGANDS RES TRIANGLE INST (US) 2012-05-02 EP disclosed
US-20110065743-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2011-03-17 US disclosed
US-7872023-B2 administering 6-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2(-)-carboxylic acid{1-[4-(3-hydroxyphenyl)-(3R)-(4R)-trans-dimethyl-piperidinylmethyl]-(2S)-methylpropyl}-amide, for the treatment of drug abuse and dependence RESEARCH TRIANGLE INSTITUTE (US) 2011-01-18 US disclosed
EP-1848275-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2007-10-31 EP disclosed
WO-2006089130-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2006-08-24 WO disclosed
US-20060183743-A1 Kappa opioid receptor ligands RESEARCH TRIANGLE INSTITUTE (US) 2006-08-17 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 (3 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-20110065743-A1 KAPPA OPIOID RECEPTOR LIGANDS OPRK1, OPRD1, OPRM1 CA1 3185/4885CA2 4530/4885ACHE 929/4885
US-20060183743-A1 Kappa opioid receptor ligands OPRK1, OPRD1, OPRM1 CA1 3185/4885CA2 4530/4885ACHE 929/4885
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS OPRK1, OPRD1, OPRM1 CA1 3185/4885CA2 4530/4885ACHE 929/4885

“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.