SCHEMBL3730876

SCHEMBL3730876

CC(C)(C)OC(=O)[C]1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.34
PLAT P00750 1/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30

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
SCHEMBL17956528 0.88 CXCR2 (0.38) CXCR2ACHEALDH1A1ADRA1AADRA1B
SCHEMBL27898578 0.84 ACHE (0.38) ACHEALDH1A1TP53MAPTALOX15
SCHEMBL18614312 0.80 ACHE (0.36) CXCR2ACHEALDH1A1TP53MAPT
SCHEMBL5233094 0.78 ACHE (0.35) CXCR2ACHEALDH1A1TP53MAPT
SCHEMBL9780092 0.76 CHRM3 (0.42) MAPTHSD17B10CA12CA1CA2
SCHEMBL6471423 0.75 SMN1; SMN2 (0.44) CXCR2ACHETP53MAPTALOX15
SCHEMBL23023352 0.74 CHRM3 (0.47) CXCR2PLATADRA1AADRA1BTP53
SCHEMBL3730879 0.72 TSHR (0.55) CXCR2PLATADRA1AADRA1BTP53
SCHEMBL73853 0.71 KDM4E (0.46) ALDH1A1MAPTALOX15CA12CA1
Piperazine SCHEMBL6297563 0.69 DGAT1 (0.34) MAPTGABRA1GABRG2GABRB3GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102548983-B Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2014-09-17 CN disclosed
EP-2573079-A2 Benzimidazole quinolinones and uses thereof Novartis Vaccines and Diagnostics, Inc. (US) 2013-03-27 EP disclosed
CN-102548983-A Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-07-04 CN 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
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

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 CXCR2 2517/4885PLAT 3961/4885ACHE 4688/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 CXCR2 2749/4885PLAT 1175/4885ACHE 4875/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 CXCR2 4850/4885PLAT 839/4885ACHE 40/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 CXCR2 2758/4885PLAT 3413/4885ACHE 2398/4885
US-20040092535-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 CXCR2 4841/4885PLAT 934/4885ACHE 56/4885

“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.