SCHEMBL22686123

SCHEMBL22686123

O=C(Nc1cccnc1)NC1CCN(c2nccc(-c3cccc(OC(F)(F)F)c3)c2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.50
ABL1 P00519 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL29655868 1.00 EPHX2 (0.50) EPHX2ABL1TRPV1NPC1RAB9A
SCHEMBL22687375 0.91 EPHX2 (0.56) EPHX2ABL1NPC1RAB9A
SCHEMBL29655850 0.91 EPHX2 (0.56) EPHX2ABL1NPC1RAB9A
SCHEMBL22687455 0.88 EPHX2 (0.50) EPHX2TRPV1NPC1RAB9A
SCHEMBL22686104 0.85 EPHX2 (0.48) EPHX2TRPV1NPC1RAB9A
SCHEMBL22685998 0.83 EPHX2 (0.56) EPHX2NPC1RAB9A
SCHEMBL23111679 0.83 EPHX2 (0.51) EPHX2NPC1RAB9A
SCHEMBL30645243 0.82 EPHX2 (0.49) EPHX2NPC1RAB9A
SCHEMBL22686739 0.82 EPHX2 (0.49) EPHX2NPC1RAB9A
SCHEMBL22687397 0.81 EPHX2 (0.53) EPHX2NPC1RAB9A

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
EP-3968994-B1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-12-27 EP disclosed
US-20220213074-A1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2022-07-07 US disclosed
WO-2020232153-A1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-11-19 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-20220213074-A1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME ABHD12, SAMHD1, ABHD11 EPHX2 460/4885ABL1 3105/4885TRPV1 4789/4885

“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.