SCHEMBL2945211

SCHEMBL2945211

CCOC(=O)c1cc2c(CCc3ccccc3)c[nH]c2cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.60
GABRA3 P34903 13/20 0.60
GABRG2 P18507 12/20 0.60
GABRB3 P28472 12/20 0.60
GABRA5 P31644 12/20 0.60
GABRA2 P47869 12/20 0.60
GABRA4 P48169 11/20 0.60
GABRA6 Q16445 11/20 0.60
GABRB1 P18505 10/20 0.60
GABRB2 P47870 10/20 0.60
GABRP O00591 9/20 0.60
GABRD O14764 9/20 0.60
GABRE P78334 9/20 0.60
GABRG1 Q8N1C3 9/20 0.60
GABRG3 Q99928 9/20 0.60
GABRQ Q9UN88 9/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.60

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
SCHEMBL2951128 0.94 GABRA1 (0.57) GABRA1GABRA3GABRG2GABRB3GABRA5
SCHEMBL2953007 0.89 GABRA1 (0.56) GABRA1GABRA3GABRG2GABRB3GABRA5
SCHEMBL2951122 0.84 GABRA1 (0.57) GABRA1GABRA3GABRG2GABRB3GABRA5
SCHEMBL4274231 0.82 GABRA1 (0.58) GABRA1GABRA3GABRG2GABRB3GABRA5
SCHEMBL2953968 0.79 GABRA1 (0.53) GABRA1GABRA3GABRG2GABRB3GABRA5
SCHEMBL2953966 0.79 GABRA1 (0.53) GABRA1GABRA3GABRG2GABRB3GABRA5
SCHEMBL2952529 0.78 GABRA1 (0.51) GABRA1GABRA3GABRG2GABRB3GABRA5
SCHEMBL2943869 0.78 GABRA1 (0.59) GABRA1GABRA3GABRG2GABRB3GABRA5
SCHEMBL2953165 0.78 GABRA1 (0.49) GABRA1GABRA3GABRG2GABRB3GABRA5
SCHEMBL2953162 0.78 GABRA1 (0.49) GABRA1GABRA3GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-7135482-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-14 US disclosed
EP-1558611-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2005-08-03 EP disclosed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2004039803-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2004-05-13 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 (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-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use IMPDH1, POLA1, POLB GABRA1 1833/4885GABRA3 2678/4885GABRG2 2094/4885
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB GABRA1 2018/4885GABRA3 2455/4885GABRG2 1991/4885
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB GABRA1 1997/4885GABRA3 2426/4885GABRG2 1754/4885

“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.