SCHEMBL20187315

SCHEMBL20187315

Cc1nsc(C2CCCN2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
DPP4 P27487 1/20 0.37
TAAR1 Q96RJ0 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33

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
SCHEMBL661006 0.72 DPP4 (0.41) DPP4BAZ2A
SCHEMBL659696 0.72 DPP4 (0.41) DPP4BAZ2A
SCHEMBL165557 0.71 BAZ2A (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3508711 0.71 BAZ2A (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL165556 0.71 BAZ2A (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5649233 0.71 MKNK1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5649230 0.71 MKNK1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20187317 0.71 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL661317 0.71 DPP4 (0.40) DPP4BAZ2A
SCHEMBL20320317 0.71 DPP4 (0.44) DPP4

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 6 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
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
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

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 CHRM2 145/4885CHRM4 222/4885CHRM5 134/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 CHRM2 145/4885CHRM4 222/4885CHRM5 134/4885

“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.