SCHEMBL20187322

SCHEMBL20187322

Cc1cn(C)nc1C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.43
TSHR P16473 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL20187340 0.83 KMT2A (0.38) ALDH1A1LMNATSHRKMT2AGAA
SCHEMBL20202185 0.82 ALDH1A1 (0.45) ALDH1A1LMNANPSR1MAPTTSHR
SCHEMBL20202184 0.82 ALDH1A1 (0.45) ALDH1A1LMNANPSR1MAPTTSHR
SCHEMBL20187327 0.82 ALDH1A1 (0.45) ALDH1A1LMNANPSR1MAPTTSHR
SCHEMBL3909456 0.78 TSHR (0.46) ALDH1A1LMNANPSR1MAPTTSHR
SCHEMBL3909454 0.78 TSHR (0.46) ALDH1A1LMNANPSR1MAPTTSHR
SCHEMBL17069053 0.76 ALDH1A1 (0.48) ALDH1A1LMNANPSR1MAPTTSHR
SCHEMBL20202191 0.76 ALDH1A1 (0.46) ALDH1A1LMNANPSR1MAPTTSHR
SCHEMBL17069050 0.76 ALDH1A1 (0.46) ALDH1A1LMNANPSR1MAPTTSHR
SCHEMBL29931962 0.76 PDE8B (0.42) ALDH1A1LMNANPSR1MAPTTSHR

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 10 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
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 US 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
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 ALDH1A1 1595/4885LMNA 2841/4885NPSR1 32/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 ALDH1A1 1595/4885LMNA 2841/4885NPSR1 32/4885

“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.