SCHEMBL560226

SCHEMBL560226

N#Cc1cccc(-c2cc([C@H](CN)CCO)ccc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.44
KCNA5 P22460 1/20 0.42
KCNH2 Q12809 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.38
MCHR1 Q99705 9/20 0.37
ADORA2A P29274 1/20 0.36
EIF4E P06730 1/20 0.36
S1PR1 P21453 1/20 0.36
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
USP7 Q93009 1/20 0.33

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
Hydrochloric Acid SCHEMBL559656 0.99 ADRA2C (0.43) ADRA2CKCNA5KCNH2PTGDR2MCHR1
SCHEMBL559619 0.84 GABBR2 (0.47) ADRA2CKCNA5KCNH2PTGDR2MCHR1
Hydrochloric Acid SCHEMBL559733 0.83 GABBR2 (0.46) ADRA2CKCNA5KCNH2PTGDR2MCHR1
Hydrochloric Acid SCHEMBL559661 0.83 GABBR2 (0.46) ADRA2CKCNA5KCNH2PTGDR2MCHR1
Hydrochloric Acid SCHEMBL559837 0.80 PTGDR2 (0.40) ADRA2CKCNA5KCNH2PTGDR2MCHR1
SCHEMBL560735 0.73 GABBR2 (0.50) EIF4EMMP12MMP13
Hydrochloric Acid SCHEMBL559785 0.72 GABBR2 (0.49) EIF4EMMP12MMP13
SCHEMBL4675885 0.72 SLC6A2 (0.43)
SCHEMBL3912571 0.72 SLC6A2 (0.43)
Hydrochloric Acid SCHEMBL559839 0.72 MCHR1 (0.47) KCNA5KCNH2PTGDR2MCHR1EIF4E

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-8344028-B2 Gamma-amino-butyric acid derivatives as GABAB receptor ligands XENOPORT, INC. (US) 2013-01-01 US claimed
EP-2419401-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS XenoPort, Inc. (US) 2012-02-22 EP claimed
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2012-02-09 US claimed
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2010-10-21 US claimed
WO-2010120370-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. (US) 2010-10-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 ADRA2C 99/4885KCNA5 1255/4885KCNH2 1613/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 ADRA2C 99/4885KCNA5 1255/4885KCNH2 1613/4885

“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.