SCHEMBL631523

SCHEMBL631523

CNCc1ccc(N2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
GAA P10253 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
NPC1 O15118 3/20 0.62
NCF1 P14598 2/20 0.61
MAPT P10636 7/20 0.57
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 4/20 0.57
ALOX12 P18054 3/20 0.57
ALOX15 P16050 3/20 0.57
MAPK1 P28482 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 4/20 0.54
TP53 P04637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 2/20 0.48

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
SCHEMBL10154079 0.85 NCF1 (0.75) RAB9AGAAL3MBTL1NPC1NCF1
SCHEMBL631505 0.83 NCF1 (0.73) RAB9AGAAL3MBTL1NPC1NCF1
SCHEMBL1038303 0.82 PRMT6 (0.72) RAB9AGAAL3MBTL1NPC1NCF1
SCHEMBL18539238 0.81 RAB9A (0.58) RAB9AGAAL3MBTL1NPC1MAPT
SCHEMBL27642818 0.81 MAPT (0.58) RAB9AGAAL3MBTL1NPC1MAPT
SCHEMBL18179875 0.81 RAB9A (0.58) RAB9AGAAL3MBTL1NPC1MAPT
SCHEMBL3440204 0.81 NCF1 (0.87) GAAL3MBTL1NCF1MAPTALDH1A1
SCHEMBL18358966 0.81 RAB9A (0.58) RAB9AGAAL3MBTL1NPC1MAPT
SCHEMBL29196275 0.81 RAB9A (0.61) RAB9AGAAL3MBTL1NPC1MAPT
SCHEMBL14438300 0.81 ALDH1A1 (0.61) RAB9AGAAL3MBTL1NPC1NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150618-A2 CONJUGATED HEPCIDIN MIMETICS PROTAGONIST THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed
US-9422308-B2 Derivatives of docosahexaenoylethanolamide and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-23 US disclosed
US-20150031878-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-01-29 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 US disclosed
EP-2099806-B1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
US-20090017112-A1 Compounds for Inhibiting Beta-Amyloid Production ROSKAMP RESEARCH LLC (US) 2009-01-15 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US 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 (4 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-20150031878-A1 DERIVATIVES OF DOCOSAHEXAENOYLETHANOLAMIDE AND USES THEREOF GAP43, DGAT2, DCX RAB9A 1941/4885GAA 2281/4885L3MBTL1 4139/4885
US-20090017112-A1 Compounds for Inhibiting Beta-Amyloid Production PSEN1, PSEN2, APP RAB9A 3643/4885GAA 72/4885L3MBTL1 2974/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA RAB9A 1891/4885GAA 3043/4885L3MBTL1 1818/4885
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET RAB9A 1898/4885GAA 1613/4885L3MBTL1 2309/4885

“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.