SCHEMBL5219917

SCHEMBL5219917

CCOC(=O)c1cccc(-c2ccc(C#N)cc2OCC2CO2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
SCN9A Q15858 7/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CHEK1 O14757 1/20 0.37
DRD4 P21917 1/20 0.36

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
SCHEMBL5219920 0.81 CYP1A2 (0.43) CYP1A2ALDH1A1KDM4ESCN9ANPSR1
SCHEMBL5221921 0.78 XDH (0.41) ALDH1A1KDM4EGABRA1GABRG2GABRB3
SCHEMBL22939960 0.73 CYP1A2 (0.59) CYP1A2SMN1; SMN2ALDH1A1KDM4ESCN9A
SCHEMBL26750381 0.71 ALDH1A1 (0.58) CYP1A2SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL18095773 0.69 CYP1A2 (0.43) CYP1A2SMN1; SMN2ALDH1A1KDM4EGABRA1
SCHEMBL6618622 0.68 ALDH1A1 (0.57) CYP1A2SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL24328865 0.67 ALDH1A1 (0.44) CYP1A2SMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL8207167 0.67 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1POLBTSHRMAPT
SCHEMBL5217488 0.67 HPGD (0.45) CYP1A2ALDH1A1KDM4EMAPTCYP2C9
SCHEMBL10602219 0.66 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1KDM4ETSHRNPSR1

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
EP-1368318-B1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-12-05 EP disclosed
US-6864267-B2 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-03-08 US disclosed
EP-1368318-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2003-12-10 EP disclosed
US-20030212110-A1 Glandular disorders; bone disorders SMITHKLINE BEECHAM CORPORATION 2003-11-13 US disclosed
WO-2002007673-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-31 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-20030212110-A1 Glandular disorders; bone disorders CYP24A1, PTH1R, SOST CYP1A2 4201/4885SMN1; SMN2 4465/4885ALDH1A1 3551/4885

“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.