SCHEMBL712413

SCHEMBL712413

CCOC(=O)c1ccc(OC(C)C)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
GABRP O00591 7/20 0.47
GABRD O14764 7/20 0.47
GABRA1 P14867 7/20 0.47
GABRB1 P18505 7/20 0.47
GABRG2 P18507 7/20 0.47
GABRB3 P28472 7/20 0.47
GABRA5 P31644 7/20 0.47
GABRA3 P34903 7/20 0.47
GABRA2 P47869 7/20 0.47
GABRB2 P47870 7/20 0.47
GABRA4 P48169 7/20 0.47
GABRE P78334 7/20 0.47
GABRA6 Q16445 7/20 0.47
GABRG1 Q8N1C3 7/20 0.47
GABRG3 Q99928 7/20 0.47
GABRQ Q9UN88 7/20 0.47
MAPT P10636 6/20 0.46
TP53 P04637 2/20 0.46
ACACB O00763 2/20 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
SCHEMBL2891190 0.87 GABRA1 (0.46) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL9901416 0.84 CYP1A2 (0.51) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL5649405 0.84 KMT2A (0.44) TP53ACACBLMNAALDH1A1NPC1
SCHEMBL165125 0.83 MAPK1 (0.57) TP53ACACBLMNAALDH1A1KDM4E
SCHEMBL27039527 0.82 ACACB (0.37) MAPTTP53ACACBLMNAKMT2A
SCHEMBL27812384 0.81 ACACB (0.44) MAPTACACBALDH1A1KDM4EKMT2A
SCHEMBL711104 0.79 KMT2A (0.55) ACACBALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL5649401 0.79 KMT2A (0.55) ACACBALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL104785 0.79 ACACB (0.47) TP53ACACBLMNAALDH1A1KMT2A
SCHEMBL2411829 0.78 GABRA1 (0.49) CYP1A2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236494-B1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD KK (JP) 2016-08-31 EP disclosed
EP-2261210-B1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE MSD KK (JP) 2014-10-22 EP disclosed
US-8367698-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2013-02-05 US disclosed
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE NAGASE TSUYOSHI (JP) 2012-09-13 US disclosed
US-8188280-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2012-05-29 US disclosed
US-8124807-B2 Sulfonyl-substituted 6-membered ring derivative MSD K.K. (JP) 2012-02-28 US disclosed
US-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE MSD K.K. (JP) 2010-12-30 US disclosed
EP-2261210-A1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-15 EP disclosed
EP-2236494-A1 SULFONYL SUBSTITUTED 6-MEMBERED RING DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-10-06 EP disclosed
US-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE MSD K.K. (JP) 2010-09-30 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 (3 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-20100249147-A1 SULFONYL-SUBSTITUTED 6-MEMBERED RING DERIVATIVE CHRM2, CHRM3, CHRM1 CYP1A2 168/4885GABRP 2929/4885GABRD 3492/4885
US-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 CYP1A2 880/4885GABRP 3539/4885GABRD 3972/4885
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 CYP1A2 880/4885GABRP 3539/4885GABRD 3972/4885

“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.