SCHEMBL1660845

SCHEMBL1660845

C=C(OCC)c1cc(Cl)ncn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
KDR P35968 3/20 0.31
EGFR P00533 2/20 0.31
NOTUM Q6P988 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TLR9 Q9NR96 1/20 0.31
GLP1R P43220 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
SCHEMBL1159252 0.79 NOS3 (0.33) RAB9AALDH1A1NPC1MAPTMAPK1
SCHEMBL549184 0.79 CYP1A2 (0.47) RAB9ALMNANOTUMALDH1A1NPC1
SCHEMBL31543156 0.76 ALDH1A1 (0.35) DGAT1RAB9AALDH1A1NPC1TP53
SCHEMBL1767872 0.74 IRAK4 (0.30)
SCHEMBL3302582 0.74 DGAT1 (0.44) DGAT1RAB9AALDH1A1NPC1TP53
SCHEMBL26870603 0.72 KMT2A (0.38) DGAT1RAB9ALMNAALDH1A1MAPT
SCHEMBL31675887 0.72 ALDH1A1 (0.34) DGAT1RAB9ALMNAEGFRNOTUM
SCHEMBL23219333 0.71 DGAT1 (0.49) DGAT1RAB9AALDH1A1NPC1TP53
SCHEMBL29832003 0.71 GALR3 (0.35) DGAT1RAB9ALMNAALDH1A1NPC1
SCHEMBL28855943 0.71 GALR3 (0.35) DGAT1RAB9ALMNAALDH1A1NPC1

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-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-12-07 US disclosed
EP-4236938-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-09-06 EP disclosed
CN-116600803-A Macrocyclic urea orexin receptor agonists 默沙东有限责任公司 2023-08-15 CN disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 WO disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 WO disclosed
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 US disclosed
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 US disclosed
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 US disclosed
US-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-08 US disclosed
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (UK) 2012-11-08 US disclosed
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (UK) 2012-11-08 US disclosed
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (UK) 2012-11-08 US disclosed
EP-2488514-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR Proximagen Limited (GB) 2012-08-22 EP disclosed
WO-2011045353-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (GB) 2011-04-21 WO disclosed
WO-2011045353-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (GB) 2011-04-21 WO disclosed
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR CHRNA7, CHRNA5, CHRNA1 DGAT1 3051/4885RAB9A 1193/4885LMNA 3803/4885
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR CHRNA7, CHRNA5, CHRNA1 DGAT1 2925/4885RAB9A 1156/4885LMNA 3819/4885
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 DGAT1 2464/4885RAB9A 2001/4885LMNA 3207/4885
US-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 DGAT1 3125/4885RAB9A 2881/4885LMNA 3669/4885
US-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS TPD52L2, CCNE2, CDK2 DGAT1 2188/4885RAB9A 3204/4885LMNA 2547/4885

“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.