SCHEMBL13620123

SCHEMBL13620123

c1ccc(C[C@@H]2CCCN2)nc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
HTR6 P50406 4/20 0.47
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
LTA4H P09960 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
SCHEMBL1484949 1.00 POLB (0.51) POLBCHRNB2CHRNA4HTR6CHRNB4
SCHEMBL1484948 1.00 POLB (0.51) POLBCHRNB2CHRNA4HTR6CHRNB4
SCHEMBL30931485 1.00 POLB (0.51) POLBCHRNB2CHRNA4HTR6CHRNB4
SCHEMBL2109274 0.95 POLB (0.58) POLBCHRNB2CHRNA4HTR6LTA4H
SCHEMBL25281271 0.94 POLB (0.57) POLBCHRNB2CHRNA4LTA4H
SCHEMBL818603 0.79 LTA4H (0.43) LTA4H
SCHEMBL3161248 0.76 CHRNB2 (0.46) POLBCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27946219 0.76 HPGD (0.47) POLBLTA4H
SCHEMBL7356653 0.75 CYP2D6 (0.43)
SCHEMBL15358977 0.75 DDB1 (0.40)

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-20090281346-A1 METHOD FOR THE PRODUCTION OF CHIRAL AMINOCARBONYL COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-11-12 US disclosed
US-20090281346-A1 METHOD FOR THE PRODUCTION OF CHIRAL AMINOCARBONYL COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-11-12 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP disclosed
WO-2008009275-A1 METHOD FOR THE PRODUCTION OF CHIRAL AMINOCARBONYL COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2008-01-24 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-20090281346-A1 METHOD FOR THE PRODUCTION OF CHIRAL AMINOCARBONYL COMPOUNDS AOC3, AOC2, AOC1 POLB 2136/4885CHRNB2 2594/4885CHRNA4 3265/4885

“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.