SCHEMBL20187298

SCHEMBL20187298

CCOC(=O)c1cn(Cc2ccccc2)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
TRPC5 Q9UL62 1/20 0.47
MAPT P10636 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
P2RX7 Q99572 1/20 0.45

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
SCHEMBL5665341 0.82 TSHR (0.44) TSHRALDH1A1KDM4EPDE3BPDE3A
SCHEMBL16246784 0.81 KLKB1 (0.53) ALDH1A1KDM4ELMNA
SCHEMBL4289304 0.78 MAPT (0.56) TSHRALDH1A1KDM4EMAPTHPGD
SCHEMBL10998096 0.74 ALDH1A1 (0.56) TSHRALDH1A1KDM4ELMNACRHBP
SCHEMBL20653919 0.73 KMT2A (0.51) TSHRALDH1A1KDM4ELMNAMAPT
SCHEMBL10314669 0.73 TSHR (0.53) TSHRALDH1A1KDM4ELMNACRHBP
SCHEMBL11005506 0.73 MAPT (0.64) TSHRALDH1A1KDM4ELMNACRHBP
SCHEMBL11557647 0.72 ALDH1A1 (0.60) TSHRALDH1A1KDM4ELMNACRHBP
SCHEMBL1568185 0.71 ALDH1A1 (0.55) TSHRALDH1A1KDM4ELMNACRHBP
SCHEMBL1641929 0.71 CRHBP (0.61) TSHRALDH1A1KDM4ELMNACRHBP

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 9 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
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

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 TSHR 420/4885ALDH1A1 1595/4885KDM4E 1185/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 TSHR 420/4885ALDH1A1 1595/4885KDM4E 1185/4885

“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.