SCHEMBL20187293

SCHEMBL20187293

COc1nn(Cc2ccccc2)cc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 1/20 0.41
AADAT Q8N5Z0 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER1 P34995 1/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RX7 Q99572 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
PARP1 P09874 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL5393507 0.84 CNR1 (0.50) CYP19A1AADATHTTPTGER1ALDH1A1
SCHEMBL20798455 0.80 PTGDR2 (0.45) KMT2AKDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL6036298 0.79 HDAC1 (0.38) CYP19A1AADATRAB9ASMN1; SMN2PTGER1
SCHEMBL5385039 0.78 LMNA (0.49) KMT2ACYP19A1KDM4ERAB9ASMN1; SMN2
SCHEMBL3532926 0.78 KMT2A (0.60) KMT2ACYP19A1ALDH1A1L3MBTL1CACNA1G
SCHEMBL24007205 0.77 L3MBTL1 (0.39) KMT2AKDM4EHTTRAB9ASMN1; SMN2
SCHEMBL6035017 0.75 POLB (0.44) CYP19A1ALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL25383408 0.75 KMT2A (0.70) KMT2AKDM4EHTTRAB9ASMN1; SMN2
SCHEMBL5350955 0.75 RAB9A (0.62) KMT2AKDM4EHTTRAB9ASMN1; SMN2
SCHEMBL11154472 0.75 KMT2A (0.43) KMT2ACYP19A1HTTALDH1A1P2RX7

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
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
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

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 1346/4885CYP19A1 922/4885AADAT 664/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 KMT2A 1346/4885CYP19A1 922/4885AADAT 664/4885

“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.