SCHEMBL3761769

SCHEMBL3761769

CN(C)CCn1ccc(B2OC(C)(C)C(C)(C)O2)cc1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.37
HTR2A P28223 3/20 0.37
LPL P06858 7/20 0.35
LIPG Q9Y5X9 7/20 0.35
HTR1D P28221 6/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ROCK1 Q13464 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
SCHEMBL17197326 0.83 BACE1 (0.38) LPLLIPGPRMT5WDR77ROCK1
SCHEMBL3668225 0.83 LIPG (0.36) LPLLIPGPRMT5WDR77ROCK1
SCHEMBL16466430 0.81 LIPG (0.41) LPLLIPGPRMT5WDR77ROCK1
SCHEMBL18150899 0.81 ACACB (0.36) LPLLIPGPRMT5WDR77ROCK1
SCHEMBL20612398 0.79 HTR2A (0.53) HTR2CHTR2ALPLLIPGHTR1D
SCHEMBL14016154 0.79 HTR2C (0.50) HTR2CHTR2AHTR1D
SCHEMBL3664117 0.78 CNR2 (0.36) HTR2C
SCHEMBL28868834 0.78 LIPG (0.43) LPLLIPGROCK1
SCHEMBL22559508 0.77 FFAR1 (0.38) LPLLIPGPRMT5WDR77ROCK1
SCHEMBL22585700 0.77 ROCK1 (0.40) LPLLIPGPRMT5WDR77ROCK1

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
EP-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 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-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK HTR2C 2331/4885HTR2A 3223/4885LPL 4691/4885

“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.