SCHEMBL7318352

SCHEMBL7318352

CC(C)(C)OC(=O)NCCc1c[nH]c2ccc(Br)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.70
MTNR1B P49286 7/20 0.70
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TRPV1 Q8NER1 1/20 0.54
CYP1A2 P05177 3/20 0.52
NOTUM Q6P988 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
HPGD P15428 2/20 0.52
BLM P54132 2/20 0.52
NQO2 P16083 2/20 0.52
SPR P35270 2/20 0.52
MAPT P10636 1/20 0.52
IDO1 P14902 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A1 P04798 1/20 0.52
MPO P05164 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
SCHEMBL7319151 0.88 IDO1 (0.58) MTNR1AMTNR1BMEN1KMT2ATRPV1
SCHEMBL8613795 0.87 TRPV1 (0.55) MTNR1AMTNR1BMEN1KMT2ATRPV1
SCHEMBL31077788 0.87 TRPV1 (0.70) MEN1KMT2ATRPV1CYP1A2NOTUM
SCHEMBL798165 0.87 TRPV1 (0.70) MEN1KMT2ATRPV1CYP1A2NOTUM
SCHEMBL2544150 0.86 HPGD (0.55) MTNR1AMTNR1BMEN1KMT2ATRPV1
SCHEMBL8194888 0.86 NOTUM (0.70) MTNR1AMTNR1BTRPV1NOTUMSPR
SCHEMBL6927448 0.85 MTNR1A (0.74) MTNR1AMTNR1BMEN1KMT2ATRPV1
SCHEMBL8807970 0.85 HTR7 (0.57) MTNR1AMTNR1BMEN1KMT2ATRPV1
SCHEMBL8806792 0.85 TRPV1 (0.53) MTNR1AMTNR1BMEN1KMT2ATRPV1
Trimethylammonium SCHEMBL8321230 0.84 MTNR1A (0.65) MTNR1AMTNR1BMEN1KMT2ATRPV1

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 4 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
US-5726177-A HEADACHES; ANXIOLYTIC AGENTS, ANTIDEPRESSANTS, ANALGESICS PIERRE FABRE MEDICAMENT (FR) 1998-03-10 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 MTNR1A 4451/4885MTNR1B 4294/4885MEN1 4382/4885

“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.