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Sugi Predict / Compounds / SCHEMBL559751

SCHEMBL559751

SCHEMBL559751

N#Cc1cccc(C(=O)Nc2cc([C@H](CN)CC(=O)O)ccc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 2/20 0.46
▸ S1PR4 O95977 1/20 0.46
▸ GABBR2 O75899 4/20 0.43
▸ GABBR1 Q9UBS5 4/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC8 Q9BY41 3/20 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
SCHEMBL559887 0.86 GABBR2 (0.51) GABBR2GABBR1CYP2C9LMNACYP3A4
SCHEMBL559720 0.86 HDAC1 (0.53) GABBR2GABBR1CYP2C9LMNACYP3A4
SCHEMBL638148 0.86 HDAC1 (0.53) GABBR2GABBR1CYP2C9LMNACYP3A4
SCHEMBL560540 0.84 MAPT (0.48) GABBR2GABBR1CYP2C9LMNACYP3A4
SCHEMBL559619 0.79 GABBR2 (0.47) GABBR2GABBR1CYP2C9LMNACYP3A4
Hydrochloric Acid SCHEMBL559661 0.78 GABBR2 (0.46) GABBR2GABBR1CYP2C9LMNACYP3A4
Hydrochloric Acid SCHEMBL559733 0.78 GABBR2 (0.46) GABBR2GABBR1CYP2C9LMNACYP3A4
SCHEMBL560452 0.77 GABBR2 (0.52) GABBR2GABBR1CYP2C9LMNACYP3A4
Hydrochloric Acid SCHEMBL560080 0.76 GABBR2 (0.51) GABBR2GABBR1CYP2C9LMNACYP3A4
SCHEMBL560154 0.75 GABBR2 (0.48) GABBR2GABBR1CYP2C9LMNACYP3A4

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 disclosed
EP-2419401-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS XenoPort, Inc. (US) 2012-02-22 — — EP disclosed
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2012-02-09 — — US disclosed
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2010-10-21 — — US disclosed
WO-2010120370-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. (US) 2010-10-21 — — 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 (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 S1PR3 1654/4885S1PR4 2138/4885GABBR2 4/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 S1PR3 1654/4885S1PR4 2138/4885GABBR2 4/4885

“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.