SCHEMBL19910592

SCHEMBL19910592

CCC(=O)N1CCC(O)(C(F)(F)F)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ CNR2 P34972 2/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ DDR1 Q08345 1/20 0.34
▸ CHRNB2 P17787 3/20 0.33
▸ CHRNA3 P32297 3/20 0.33
▸ CHRNA4 P43681 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRNB3 Q05901 1/20 0.33
▸ CHRNA6 Q15825 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ CHRNB4 P30926 2/20 0.33
▸ CHRNA7 P36544 2/20 0.33
▸ VNN1 O95497 1/20 0.32
▸ EPHX2 P34913 3/20 0.32
▸ TRPA1 O75762 2/20 0.31
▸ RORC P51449 1/20 0.31

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
SCHEMBL18069131 0.90 OPRM1 (0.40) OPRM1ALDH1A1CNR2PDK2CHRNB2
SCHEMBL16887627 0.89 PDK2 (0.41) OPRM1ALDH1A1PDK2CHRNB2CHRNA3
SCHEMBL15492372 0.85 ALDH1A1 (0.52) OPRM1ALDH1A1CNR2PDK2CHRNB2
SCHEMBL18069128 0.80 SMN1; SMN2 (0.42) OPRM1ALDH1A1CNR2PDK2VNN1
SCHEMBL4228827 0.78 CNR2 (0.38) CNR2VNN1TRPA1RORC
SCHEMBL23482193 0.78 L3MBTL1 (0.40) OPRM1CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL21236898 0.77 CNR2 (0.37) CNR2VNN1RORC
SCHEMBL18799681 0.76 L3MBTL1 (0.41) OPRM1ALDH1A1CHRNB2CHRNA3CHRNA4
SCHEMBL19910567 0.76 PDK2 (0.37) CNR2PDK2CHRNB2CHRNA3CHRNA4
SCHEMBL13246058 0.74 ALDH1A1 (0.52) OPRM1ALDH1A1CNR2CHRNB2CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-09-08 — — US disclosed
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-03-01 — — 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-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX OPRM1 2363/4885ALDH1A1 982/4885CNR2 1446/4885
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX OPRM1 2363/4885ALDH1A1 982/4885CNR2 1446/4885

“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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