SCHEMBL118407

SCHEMBL118407

CCOC(=O)c1cn2c(CO)cccc2n1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.73
CYP1A2 P05177 2/20 0.53
KDM4E B2RXH2 6/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.48
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
RXFP1 Q9HBX9 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL7274660 0.90 GAA (0.75) GAACYP1A2KDM4EPOLBMAPK1
SCHEMBL8610256 0.88 GAA (0.71) GAACYP1A2KDM4EPOLBMAPK1
SCHEMBL8609864 0.86 GAA (0.68) GAACYP1A2KDM4EPOLBMAPK1
SCHEMBL12775883 0.86 GAA (0.68) GAACYP1A2KDM4EPOLBMAPK1
SCHEMBL8607119 0.85 GAA (0.67) GAACYP1A2KDM4EPOLBMAPK1
SCHEMBL101291 0.85 GAA (1.00) GAACYP1A2KDM4EPOLBMAPK1
SCHEMBL8607711 0.83 GAA (0.64) GAACYP1A2KDM4EPOLBMAPK1
SCHEMBL23530875 0.82 GAA (0.75) GAACYP1A2KDM4EPOLBMAPK1
SCHEMBL102137 0.82 GAA (0.75) GAACYP1A2KDM4EPOLBMAPK1
SCHEMBL3033258 0.82 GAA (0.75) GAACYP1A2KDM4EPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906221-B1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RES INST (US) 2019-05-15 EP disclosed
US-9969743-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE 2017-07-06 US disclosed
US-9598387-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2017-03-21 US disclosed
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2015-08-20 US disclosed
EP-2906221-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF Southern Research Institute (US) 2015-08-19 EP disclosed
EP-2903973-A1 NEW AZIDES, METHODS FOR PRODUCING SAME AND APPLICATIONS THEREOF Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2015-08-12 EP disclosed
WO-2014059265-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2014-04-17 WO disclosed
WO-2014057201-A1 NEW AZIDES, METHODS FOR PRODUCING SAME AND APPLICATIONS THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-04-17 WO disclosed
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US disclosed
EP-2424866-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 EP disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 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 (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-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF HTR2C, HTR4, HTR2A GAA 2092/4885CYP1A2 178/4885KDM4E 1635/4885
US-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP GAA 30/4885CYP1A2 722/4885KDM4E 2967/4885
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF DRD2, CHRM2, NPY2R GAA 1501/4885CYP1A2 528/4885KDM4E 2055/4885

“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.