SCHEMBL5319563

SCHEMBL5319563

CCOC(=O)CC(CN)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 5/20 0.62
GABBR1 Q9UBS5 5/20 0.62
F2 P00734 4/20 0.57
ALDH1A1 P00352 2/20 0.54
F10 P00742 4/20 0.51
TSHR P16473 2/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PRSS1 P07477 1/20 0.45
MMP8 P22894 1/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
NFKB1 P19838 1/20 0.45
DRD3 P35462 1/20 0.45
BLM P54132 1/20 0.45

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 SCHEMBL987303 0.98 GABBR2 (0.60) GABBR2GABBR1F2ALDH1A1F10
SCHEMBL232194 0.90 F2 (0.59) GABBR2GABBR1F2ALDH1A1F10
SCHEMBL5320904 0.88 GABBR2 (0.58) GABBR2GABBR1F2ALDH1A1F10
Hydrochloric Acid SCHEMBL27921429 0.87 GABBR2 (0.54) GABBR2GABBR1F2ALDH1A1F10
SCHEMBL4405154 0.87 F2 (0.56) F2ALDH1A1F10TSHRCYP1A2
SCHEMBL30040482 0.87 F2 (0.56) F2ALDH1A1F10TSHRCYP1A2
SCHEMBL7141857 0.85 F2 (0.55) GABBR2GABBR1F2ALDH1A1F10
SCHEMBL28642234 0.85 F2 (0.55) GABBR2GABBR1F2ALDH1A1F10
SCHEMBL3863643 0.85 F2 (0.55) F2ALDH1A1F10TSHRCYP1A2
SCHEMBL5320001 0.85 GABBR2 (0.55) GABBR2GABBR1F2ALDH1A1TSHR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103408480-A 4-phenyl-pyrrolidone synthesis process ZHANGJIAGANG WEISHENG BIOLOG PHARMACEUTICAL CO LTD 2013-11-27 CN claimed
WO-2007096314-A2 ENZYMATIC RESOLUTION OF RACEMIC 3-ARYL-4-AMINOBUTYRIC ACID VEINBERG GRIGORY (LV) 2007-08-30 WO claimed
EP-2456309-B1 Azabicyclo[3.2.1]octyl derivatives for use in the treatment of HIV. GLAXOSMITHKLINE LLC (US) 2015-12-23 EP disclosed
CN-103408480-A 4-phenyl-pyrrolidone synthesis process ZHANGJIAGANG WEISHENG BIOLOG PHARMACEUTICAL CO LTD 2013-11-27 CN disclosed
US-8586623-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-11-19 US disclosed
US-20120295877-A1 Therapeutic Compounds GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
US-20120295877-A1 Therapeutic Compounds GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-02 US disclosed
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-02 US disclosed
US-8183241-B2 2-oxo-1-pyrrolidine derivatives UCB PHARMA, S.A. (BE) 2012-05-22 US disclosed
US-8178533-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2012-05-15 US disclosed
WO-2011011652-A1 THERAPEUTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-01-27 WO disclosed
US-20090312333-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2009-12-17 US disclosed
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES UCB, S.A. (BE) 2009-06-18 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 (4 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-20120295877-A1 Therapeutic Compounds CCR5, CCR1, CXCR3 GABBR2 1895/4885GABBR1 2597/4885F2 2713/4885
US-20090312333-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 GABBR2 2301/4885GABBR1 2356/4885F2 1368/4885
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 GABBR2 2301/4885GABBR1 2356/4885F2 1368/4885
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES OPRD1, PPOX, CYP2D6 GABBR2 1894/4885GABBR1 1913/4885F2 1783/4885

“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.