SCHEMBL29655736

SCHEMBL29655736

O=C(Nc1cccnc1)NC1CCN(c2nccc(C(F)(F)F)c2Cl)CC1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.60
POLB P06746 1/20 0.53
EPHX2 P34913 1/20 0.52

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
SCHEMBL22685996 1.00 TRPV1 (0.60) TRPV1POLBEPHX2
SCHEMBL23645891 0.89
SCHEMBL22660108 0.85 POLB (0.56) TRPV1POLBEPHX2
SCHEMBL23645905 0.82 TRPV1 (0.57) TRPV1POLBEPHX2
SCHEMBL22686740 0.82 EPHX2 (0.48) TRPV1POLBEPHX2
SCHEMBL22685998 0.82 EPHX2 (0.56) EPHX2
SCHEMBL22687375 0.82 EPHX2 (0.56) EPHX2
SCHEMBL29655850 0.82 EPHX2 (0.56) EPHX2
SCHEMBL22686123 0.80 EPHX2 (0.50) TRPV1EPHX2
SCHEMBL22687455 0.80 EPHX2 (0.50) TRPV1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213074-A1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2022-07-07 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 (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 TRPV1 4789/4885POLB 919/4885EPHX2 460/4885

“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.