SCHEMBL6897746

SCHEMBL6897746

OC1c2cccc(Cl)c2OCC1Br

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 3/20 0.36
PSMB5 P28074 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1A P35348 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
NOTUM Q6P988 1/20 0.31
AHR P35869 1/20 0.31
ACHE P22303 1/20 0.31
DPP4 P27487 1/20 0.30
CA2 P00918 1/20 0.30
TRPM5 Q9NZQ8 1/20 0.30

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
SCHEMBL6899312 0.73 PSMB8 (0.39) PSMB8PSMB5ADRA2AADRA2BADRA2C
SCHEMBL6900534 0.73 PSMB8 (0.39) PSMB8PSMB5ADRA2AADRA2BADRA2C
SCHEMBL4119536 0.72 LTB4R (0.54) HTR2B
SCHEMBL30256850 0.72 LTB4R (0.54) HTR2B
SCHEMBL4119538 0.72 LTB4R (0.54) HTR2B
SCHEMBL28731734 0.72 TAAR1 (0.41) PSMB8PSMB5ADRA2AADRA2BADRA2C
SCHEMBL4119534 0.72 LTB4R (0.54) HTR2B
SCHEMBL20480237 0.71 PSMB8 (0.47) PSMB8PSMB5ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL29121801 0.70 HTR2A (0.41) PSMB8PSMB5ADRA2AADRA2BADRA2C
SCHEMBL30666576 0.70 TRPM5 (0.41) ADRA2AADRA2BADRA2CADRA1AHTR2A

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
EP-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
WO-2011070131-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES TIBOTEC PHARMACEUTICALS (IE) 2011-06-16 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-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES C1S, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-10 PSMB8 2771/4885PSMB5 2965/4885ADRA2A 1225/4885

“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.