SCHEMBL427772

SCHEMBL427772

CC1(C)COCN1C(=O)n1nnc2cc(-c3cccc(C(N)=O)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.41
TRPV1 Q8NER1 2/20 0.38
MGLL Q99685 6/20 0.36
FAAH O00519 5/20 0.36
MGAM O43451 2/20 0.36
AMY1A P0DUB6 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
ALOX5AP P20292 1/20 0.36
NAMPT P43490 1/20 0.36
LIMK1 P53667 1/20 0.35
IDH1 O75874 1/20 0.34
TDP2 O95551 1/20 0.34
KMT2A Q03164 2/20 0.34
F2 P00734 1/20 0.33
HPGD P15428 1/20 0.33
SLC9A1 P19634 1/20 0.33

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
SCHEMBL425750 0.92 TRPV1 (0.38) TRPV1MGLLFAAHMGAMAMY1A
SCHEMBL427200 0.89 NAMPT (0.45) KCNMA1MGAMAMY1AGAASI
SCHEMBL426089 0.83 NAMPT (0.38) MGLLFAAHMGAMAMY1AGAA
SCHEMBL425578 0.80 FAAH (0.47) KCNMA1MGLLFAAHMGAMAMY1A
SCHEMBL424689 0.80 KCNMA1 (0.42) KCNMA1MGLLFAAHMGAMAMY1A
SCHEMBL424826 0.79 HCAR3 (0.49) HPGD
SCHEMBL427962 0.78 KCNMA1 (0.48) KCNMA1MGLLFAAHMGAMAMY1A
SCHEMBL424832 0.77 HPGD (0.41) KMT2AHPGD
SCHEMBL7906239 0.77 KCNMA1 (0.37) KCNMA1MGLLFAAHGAAF2
SCHEMBL425937 0.76 KCNMA1 (0.51) KCNMA1HPGD

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 KCNMA1 3175/4885TRPV1 165/4885MGLL 11/4885

“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.