SCHEMBL20187376

SCHEMBL20187376

CC1(C)OC(=O)c2ccc(Oc3ccc(CO)cc3)cc2O1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
MAOB P27338 12/20 0.40
PDE4B Q07343 1/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
MAOA P21397 1/20 0.36
GSTP1 P09211 1/20 0.36
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL30007626 1.00 LTA4H (0.45) LTA4HMAOBPDE4BMAPTTDP1
SCHEMBL12960368 0.86 CNR2 (0.40) MAOBNPC1ALDH1A1RAB9ALMNA
SCHEMBL20187352 0.80 KMT2A (0.39) MAOBPDE4BMAPTTDP1L3MBTL1
SCHEMBL2761859 0.76 MAOB (0.67) MAOBMAPTNPC1ALDH1A1RAB9A
SCHEMBL2868883 0.75 TSHR (0.38) MAOBMAPTTDP1L3MBTL1NPC1
SCHEMBL12116974 0.74 MAOB (0.43) MAOBMAPTTDP1L3MBTL1NPC1
SCHEMBL1165753 0.74 TSHR (0.36) MAOBTDP1L3MBTL1ALDH1A1GLA
SCHEMBL14879974 0.73 AKR1B1 (0.48) MAPTTDP1ALDH1A1LMNA
SCHEMBL3029678 0.73 MAOB (0.43) MAOBTDP1L3MBTL1MAOA
SCHEMBL4956149 0.73 CYP3A4 (0.52) MAOBNPC1ALDH1A1RAB9AGSTP1

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 4 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
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

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 LTA4H 3858/4885MAOB 492/4885PDE4B 4536/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 LTA4H 3858/4885MAOB 492/4885PDE4B 4536/4885

“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.