SCHEMBL7319151

SCHEMBL7319151

CC(C)(C)OC(=O)NCc1c[nH]c2ccc(Br)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.58
MTNR1A P48039 2/20 0.56
MTNR1B P49286 2/20 0.56
GPR84 Q9NQS5 1/20 0.50
NR4A2 P43354 1/20 0.49
CAMK2D Q13557 1/20 0.47
HTR2A P28223 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
CSNK2A1 P68400 1/20 0.45
SLC6A4 P31645 2/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRB2 P47870 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42

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
SCHEMBL7318352 0.88 MTNR1A (0.70) IDO1MTNR1AMTNR1BCAMK2DHTR2A
SCHEMBL31253914 0.86 IDO1 (0.42) IDO1MTNR1AMTNR1BNR4A2CAMK2D
SCHEMBL23631699 0.82 MTNR1A (0.53) IDO1MTNR1AMTNR1BGPR84NR4A2
SCHEMBL19100705 0.82 CTSL (0.58) IDO1MEN1KMT2ACTSLCTSS
SCHEMBL30592468 0.81 MTNR1A (0.42) IDO1MTNR1AMTNR1BGPR84CTSL
SCHEMBL3679688 0.80 ACE (0.61) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL3018301 0.80 ACE (0.61) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL17826908 0.79 MTNR1A (0.54) MTNR1AMTNR1BNR4A2CAMK2DGABRA1
SCHEMBL17961907 0.79 TACR1 (0.59) MTNR1AMTNR1BGPR84MEN1KMT2A
SCHEMBL17961906 0.79 TACR1 (0.59) MTNR1AMTNR1BGPR84MEN1KMT2A

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-20020004198-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2002-01-10 US disclosed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US disclosed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 IDO1 1618/4885MTNR1A 4451/4885MTNR1B 4294/4885

“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.