SCHEMBL8201163

SCHEMBL8201163

C=C(C)[C@@H](N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.46
ADRA2C P18825 1/20 0.46
LMNA P02545 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 1/20 0.46
DPP4 P27487 2/20 0.46
F2 P00734 1/20 0.46
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NOS2 P35228 1/20 0.41

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
SCHEMBL16838683 1.00 ADRA2A (0.46) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL5975716 1.00 ADRA2A (0.46) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL12729962 0.80 DPP4 (0.50) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL946139 0.80 DPP4 (0.50) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL8643386 0.80 DPP4 (0.50) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL11985509 0.78 LMNA (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL8279099 0.78 LMNA (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL3262994 0.78 DPP4 (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL2586024 0.78 LMNA (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL13255677 0.77 ADRA2A (0.48) ADRA2AADRA2CLMNAHIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303034-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-04-05 US disclosed
US-20150175613-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2015-06-25 US disclosed
US-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 US disclosed
US-20090306079-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION 2009-12-10 US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
US-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2008-04-17 US disclosed
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 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-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS CCR2, ACKR3, CX3CR1 ADRA2A 1075/4885ADRA2C 258/4885LMNA 4727/4885
US-20150175613-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT ADRA2A 870/4885ADRA2C 488/4885LMNA 851/4885
US-20090306079-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS CCR1, ACKR3, CXCR1 ADRA2A 1532/4885ADRA2C 538/4885LMNA 4778/4885

“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.