SCHEMBL427663

SCHEMBL427663

CC1(C)COCN1C(=O)n1nnc2ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.36
MGLL Q99685 3/20 0.36
GAA P10253 7/20 0.36
MGAM O43451 4/20 0.36
AMY1A P0DUB6 4/20 0.36
SI P14410 4/20 0.36
MGAM2 Q2M2H8 4/20 0.36
F12 P00748 2/20 0.36
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GLA P06280 2/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
CNR2 P34972 3/20 0.32

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
SCHEMBL425936 0.88 KCNMA1 (0.39) FAAHMGLLGAAMGAMAMY1A
SCHEMBL444875 0.85 HCAR3 (0.40) FAAHMGLLGAAMGAMAMY1A
SCHEMBL426089 0.84 NAMPT (0.38) FAAHMGLLGAAMGAMAMY1A
SCHEMBL425919 0.84 HDAC3 (0.43) FAAHMGLLGAAMGAMAMY1A
SCHEMBL7899384 0.84 GAA (0.32) FAAHMGLLGAAMGAMAMY1A
SCHEMBL424689 0.83 KCNMA1 (0.42) FAAHMGLLGAAMGAMAMY1A
SCHEMBL425578 0.83 FAAH (0.47) FAAHMGLLGAAMGAMAMY1A
SCHEMBL426102 0.82 FAAH (0.42) FAAHMGLLGAAMGAMAMY1A
SCHEMBL426009 0.82 GAA (0.46) FAAHMGLLGAAMGAMAMY1A
SCHEMBL427401 0.80 MAPT (0.47) FAAHMGLLGAAALDH1A1KDM4E

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-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
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885MGLL 11/4885GAA 184/4885

“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.