SCHEMBL18362074

SCHEMBL18362074

COc1ccc(CN2C(=O)CCc3c(O)cccc32)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.41
▸ GPR52 Q9Y2T5 1/20 0.40
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ ERCC5 P28715 1/20 0.38
▸ DAO P14920 1/20 0.38
▸ HCRTR1 O43613 2/20 0.38
▸ HCRTR2 O43614 2/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL20348536 0.88 SCN9A (0.42) SCN9AGPR52PRMT5WDR77HCRTR1
SCHEMBL18362075 0.83 HTR6 (0.41) SCN9AHCRTR1HCRTR2POLBKDM4E
SCHEMBL20337914 0.82 HTR6 (0.45) SCN9AEGLN1HCRTR1HCRTR2CACNA1G
SCHEMBL18049313 0.77 LOXL2 (0.47) SCN9AGPR52HCRTR1HCRTR2POLB
SCHEMBL10568031 0.77 POLB (0.61) EGLN1POLBCHRM1L3MBTL1
SCHEMBL18362157 0.76 LOXL2 (0.64) SCN9AGPR52HCRTR1HCRTR2POLB
Acetic Acid SCHEMBL18049237 0.76 LOXL2 (0.50) GPR52HCRTR1HCRTR2POLBKDM4E
SCHEMBL18362158 0.76 LOXL2 (0.46) SCN9AGPR52HCRTR1HCRTR2POLB
Acetic Acid SCHEMBL20337942 0.75 LOXL2 (0.67) SCN9AEGLN1GPR52HCRTR1HCRTR2
SCHEMBL19910624 0.73 LOXL2 (0.42) SCN9AEGLN1GPR52PRMT5WDR77

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2018-07-05 — — US disclosed
US-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2018-07-05 — — US disclosed
WO-2017003862-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-01-05 — — 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 (1 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-20180186755-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX SCN9A 4270/4885EGLN1 217/4885GPR52 2406/4885

“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.

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