SCHEMBL4489968

SCHEMBL4489968

COc1ccc2cccc([C@@H](O)CBr)c2n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.44
MTNR1B P49286 13/20 0.44
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR2C P28335 1/20 0.33
MCHR1 Q99705 1/20 0.33
RAF1 P04049 1/20 0.33
DYRK1A Q13627 1/20 0.33
KCNH2 Q12809 1/20 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
SCHEMBL1723516 0.87 MTNR1A (0.45) MTNR1AMTNR1BPRMT5WDR77HTR2C
SCHEMBL1712390 0.79 MTNR1A (0.46) MTNR1AMTNR1BHTR2C
SCHEMBL7859352 0.78 MTNR1A (0.43) MTNR1AMTNR1BHTR2CMCHR1
SCHEMBL1711997 0.78 MTNR1A (0.39) MTNR1AMTNR1BPRMT5WDR77MCHR1
SCHEMBL3244345 0.77 KCNH2 (0.50) KCNH2
SCHEMBL1712155 0.77 MTNR1A (0.46) MTNR1AMTNR1BHTR2CMCHR1
SCHEMBL30867647 0.75 MTNR1A (0.44) MTNR1AMTNR1BMCHR1
SCHEMBL22559305 0.75 MTNR1A (0.44) MTNR1AMTNR1BMCHR1
SCHEMBL4468563 0.74 KCNH2 (0.43) MTNR1AMTNR1BPRMT5WDR77MCHR1
SCHEMBL1712316 0.74 MTNR1A (0.48) MTNR1AMTNR1BPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498326-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 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-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic TLR1, TLR2, TLR6 MTNR1A 1439/4885MTNR1B 312/4885PRMT5 4685/4885

“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.