SCHEMBL7829370

SCHEMBL7829370

CC(=O)NNC(=O)c1ccc(Br)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.48
CHRNG P07510 1/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB2 P17787 1/20 0.48
SLC6A2 P23975 1/20 0.48
CHRNB4 P30926 1/20 0.48
SLC6A4 P31645 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CHRND Q07001 1/20 0.48
TP53 P04637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MTOR P42345 1/20 0.44
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44

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
SCHEMBL27007874 0.93 CHRNA1 (0.53) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL27007774 0.86 NPC1 (0.59) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL5601531 0.82 HDAC6 (0.59) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL8507005 0.80 HDAC6 (0.53) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL30107275 0.80 HDAC6 (0.53) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL1459893 0.79 OGG1 (0.55) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL15007072 0.79 CHRNA1 (0.48) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL8229060 0.78 HDAC1 (0.46) TP53ALDH1A1GAASMN1; SMN2NPC1
SCHEMBL29784872 0.77 CHRNA1 (0.51) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL588574 0.77 CHRNA1 (0.51) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822956-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2015-01-14 EP disclosed
US-20130261077-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-03 US disclosed
US-20130261077-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-03 US disclosed
WO-2013134415-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-12 WO disclosed
EP-0799226-B1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-02-07 EP disclosed
US-5972951-A Tetracyclic spiro compounds, process for their preparation and their use as 5HT1D receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-10-26 US disclosed
EP-0799226-A1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019477-A1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed
US-5510350-A USEFUL IN TREATMENT OR PROPHYLAXIS OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS GLAXO GROUP LIMITED (GB) 1996-04-23 US disclosed
US-5340810-A Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system GLAXO GROUP LIMITED (GB) 1994-08-23 US disclosed
EP-0533268-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP 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-20130261077-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS MPI, MANBA, MAN2A1 CHRNA1 4775/4885CHRNG 4695/4885CHRNB1 4681/4885

“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.