SCHEMBL3730879

SCHEMBL3730879

CC(C)(C)OC(=O)C1=CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
GABRR1 P24046 2/20 0.55
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
GABRA1 P14867 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRB2 P47870 1/20 0.55
GABRA4 P48169 1/20 0.55
GABRE P78334 1/20 0.55
GABRA6 Q16445 1/20 0.55
GABRG1 Q8N1C3 1/20 0.55
GABRG3 Q99928 1/20 0.55
GABRQ Q9UN88 1/20 0.55
BLM P54132 2/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL23023352 0.85 CHRM3 (0.47) TSHRGABRR1GABRPGABRDGABRA1
SCHEMBL11560879 0.84 TSHR (0.49) TSHRGABRR1GABRPGABRDGABRA1
SCHEMBL11564198 0.83 TSHR (0.47) TSHRGABRR1GABRPGABRDGABRA1
SCHEMBL3019512 0.80 TSHR (0.60) TSHRGABRR1GABRPGABRDGABRA1
Bromide SCHEMBL11553712 0.79 TSHR (0.58) TSHRGABRR1GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL11557153 0.79 BLM (0.61) TSHRGABRR1GABRPGABRDGABRA1
SCHEMBL8678911 0.77 CA12 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4869840 0.77 TSHR (0.56) TSHRGABRR1GABRPGABRDGABRA1
SCHEMBL23178983 0.77 TSHR (0.60) TSHRGABRR1GABRPGABRDGABRA1
SCHEMBL5254357 0.76 TSHR (0.55) TSHRGABRR1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573079-A2 Benzimidazole quinolinones and uses thereof Novartis Vaccines and Diagnostics, Inc. (US) 2013-03-27 EP disclosed
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
EP-1539754-A4 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-02-25 EP disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-7192955-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-03-20 US disclosed
US-7192955-B2 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2007-03-20 US disclosed
EP-1692085-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA Chiron Corporation (US) 2006-08-23 EP disclosed
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma CHIRON CORPORATION 2005-11-24 US disclosed
US-20050256157-A1 Combination therapy with CHK1 inhibitors CHIRON CORPORATION 2005-11-17 US disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 US disclosed
EP-1539754-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF Chiron Corporation (US) 2005-06-15 EP disclosed
WO-2005047244-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA CHIRON CORPORATION (US) 2005-05-26 WO disclosed
US-20040092535-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2004-05-13 US disclosed
WO-2004018419-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF CHIRON CORPORATION (US) 2004-03-04 WO disclosed
EP-0000167-A1 1,2,3,6-Tetrahydroisonicotinic acid and derivatives thereof, methods and starting products for their preparation, and pharmaceutical compositions containing them. Krogsgaard-Larsen, Povl (DK) 1979-01-10 EP 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 (5 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-20050256157-A1 Combination therapy with CHK1 inhibitors CHEK1, CHEK2, RAD1 TSHR 3812/4885GABRR1 4106/4885GABRP 4247/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 TSHR 2539/4885GABRR1 1891/4885GABRP 1544/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 TSHR 4324/4885GABRR1 1905/4885GABRP 862/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 TSHR 3423/4885GABRR1 2638/4885GABRP 1184/4885
US-20040092535-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 TSHR 4356/4885GABRR1 1806/4885GABRP 978/4885

“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.