SCHEMBL20187349

SCHEMBL20187349

Cn1ccc([C@@H]2CCCN2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
HCRTR2 O43614 1/20 0.43
CHRM2 P08172 5/20 0.40
CHRM5 P08912 5/20 0.40
CHRM3 P20309 5/20 0.40
CHRM4 P08173 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL175365 1.00 DDB1 (0.44) DDB1CRBNTAAR1HCRTR2CHRM2
SCHEMBL19259525 0.79 TAAR1 (0.38) TAAR1CHRM2CHRM5CHRM3CHRM4
SCHEMBL3005912 0.78 DDB1 (0.40) DDB1CRBNHCRTR2
SCHEMBL25323566 0.77 DDB1 (0.42) DDB1CRBNHCRTR2
SCHEMBL25323562 0.77 DDB1 (0.42) DDB1CRBNHCRTR2
SCHEMBL25322338 0.74 DDB1 (0.40) DDB1CRBNHCRTR2
SCHEMBL25646040 0.73 CHRM2 (0.48) DDB1CRBNHCRTR2CHRM2CHRM3
SCHEMBL25646046 0.73 CHRM2 (0.48) DDB1CRBNHCRTR2CHRM2CHRM3
SCHEMBL25646038 0.73 CHRM2 (0.48) DDB1CRBNHCRTR2CHRM2CHRM3
SCHEMBL17069054 0.72 DDB1 (0.44) DDB1CRBNTAAR1CHRM2CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544972-B1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER (US) 2023-04-26 EP disclosed
EP-3544972-B1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER (US) 2023-04-26 EP disclosed
CN-110234638-B Heteroaryl phenoxy benzamide KAPPA opioid ligands 辉瑞大药厂 2022-10-21 CN disclosed
EP-3544972-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS Pfizer Inc (US) 2019-10-02 EP disclosed
CN-110234638-A Heteroaryl phenoxy benzamide KAPPA opiates ligand 辉瑞大药厂 2019-09-13 CN disclosed
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 US disclosed
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 US disclosed
WO-2018096510-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 WO disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 US disclosed
WO-2018096510-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 WO disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 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-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands OPRK1, OPRD1, OPRM1 DDB1 2287/4885CRBN 1146/4885TAAR1 58/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 DDB1 2287/4885CRBN 1146/4885TAAR1 58/4885

“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.