SCHEMBL855512

SCHEMBL855512

CC(C)(C)OC(=O)C(N)c1cccc(CN)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
NR1H2 P55055 1/20 0.40
ADRA1D P25100 1/20 0.38
ENPP2 Q13822 1/20 0.38
LTA4H P09960 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SYK P43405 1/20 0.36
NOS1 P29475 3/20 0.36
NOS2 P35228 3/20 0.36
F9 P00740 1/20 0.36
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL28796517 0.89 ACHE (0.43) SLC7A5LTA4HMEN1KMT2ASYK
SCHEMBL27847543 0.86 SLC7A5 (0.45) SLC7A5LTA4HMEN1KMT2ASYK
SCHEMBL855255 0.85 LOXL2 (0.41) SLC7A5LOXL2NR1H2LTA4HKMT2A
SCHEMBL27559984 0.84 SLC7A5 (0.43) SLC7A5NR1H2LTA4H
Ammonia Solution, Strong SCHEMBL23885016 0.84 LOXL2 (0.40) SLC7A5LOXL2NR1H2LTA4HKMT2A
SCHEMBL14975818 0.83 SLC7A5 (0.45) SLC7A5LOXL2NR1H2ADRA1DENPP2
SCHEMBL13546232 0.83 SLC7A5 (0.40) SLC7A5LTA4HMEN1KMT2ASYK
SCHEMBL3307226 0.82 MEN1 (0.40) SLC7A5LTA4HMEN1KMT2ASYK
SCHEMBL27881041 0.81 SLC7A5 (0.44) SLC7A5LTA4HMEN1KMT2ASYK
SCHEMBL7210714 0.81 CPN1 (0.42) SLC7A5NR1H2KMT2AALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO disclosed
EP-0853084-B1 Substituted purine derivatives as vitronectin receptor antagonists HOECHST AG (DE) 2008-08-13 EP disclosed
EP-1363874-B1 TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2007-06-06 EP disclosed
EP-1368317-B1 TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2006-12-27 EP disclosed
US-7101911-B2 Tryptase inhibitors ALTANA PHARMA AG (DE) 2006-09-05 US disclosed
US-7060716-B2 Compound containing two triple bonds ALTANA PHARMA AG (DE) 2006-06-13 US disclosed
US-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed
US-20040067943-A1 Tryptase inhibitors ALTANA PHARMA AG (DE) 2004-04-08 US disclosed
EP-1368317-A1 TRYPTASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-12-10 EP disclosed
EP-1363874-A2 TRYPTASE INHIBITORS ALTANA Pharma AG (DE) 2003-11-26 EP disclosed
US-20030083344-A1 Tryptase inhibitors ALTANA PHARMA AG (DE) 2003-05-01 US disclosed
EP-1244643-A1 TRYPTASE INHIBITORS ALTANA Pharma AG (DE) 2002-10-02 EP disclosed
WO-2002066420-A2 TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2002-08-29 WO disclosed
WO-2002066430-A1 TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2002-08-29 WO disclosed
WO-2001046168-A1 TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-06-28 WO disclosed
EP-0853084-A2 Substituted purine derivatives as vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-15 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 (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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 SLC7A5 4107/4885LOXL2 86/4885NR1H2 10/4885
US-20030083344-A1 Tryptase inhibitors TPSAB1, TPSB2, TPSG1 SLC7A5 1874/4885LOXL2 1231/4885NR1H2 4185/4885
US-20040067943-A1 Tryptase inhibitors TPSB2, TPSAB1, TPSG1 SLC7A5 870/4885LOXL2 540/4885NR1H2 3869/4885

“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.