SCHEMBL20187323

SCHEMBL20187323

Cc1nn(C)cc1[C@H]1CCCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
PROKR1 Q8TCW9 4/20 0.39
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
RIPK1 Q13546 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSP90AA1 P07900 3/20 0.35
HSP90AB1 P08238 3/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL20187314 1.00 KMT2A (0.43) KMT2APROKR1MAPK1LMNATSHR
SCHEMBL28887425 1.00 KMT2A (0.43) KMT2APROKR1MAPK1LMNATSHR
SCHEMBL20202184 0.83 ALDH1A1 (0.45) KMT2ALMNATSHRALDH1A1MAPT
SCHEMBL20187327 0.83 ALDH1A1 (0.45) KMT2ALMNATSHRALDH1A1MAPT
SCHEMBL20202185 0.83 ALDH1A1 (0.45) KMT2ALMNATSHRALDH1A1MAPT
SCHEMBL20187340 0.80 KMT2A (0.38) KMT2APROKR1MAPK1LMNATSHR
SCHEMBL20187358 0.72 ADAM17 (0.46) RIPK1KDM4ECCNCCDK8
SCHEMBL28875722 0.72 ADAM17 (0.46) RIPK1KDM4ECCNCCDK8
SCHEMBL6310168 0.72 HSP90AA1 (0.61) RIPK1MAPTHSP90AA1HSP90AB1
SCHEMBL17093004 0.72 RIPK1 (0.51) RIPK1ALDH1A1HSP90AA1HSP90AB1

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 5 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-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 KMT2A 1346/4885PROKR1 603/4885MAPK1 2085/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 KMT2A 1346/4885PROKR1 603/4885MAPK1 2085/4885

“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.