SCHEMBL4413879

SCHEMBL4413879

O=c1cc(C2CNCCO2)nc2cc(OCc3ccccc3)ccn12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.47
MAPK14 Q16539 1/20 0.40
MAOB P27338 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
GRM5 P41594 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOA P21397 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4805419 0.91 MCHR1 (0.39) MCHR1
SCHEMBL4414010 0.91 MCHR1 (0.42) MCHR1MAOBMAOA
SCHEMBL4417228 0.90 GRM5 (0.46) MCHR1MAOBGRM5MAOAKCNH2
SCHEMBL4413939 0.90 PRKDC (0.40) MCHR1
SCHEMBL4422985 0.89 ADORA3 (0.42) MCHR1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4415583 0.89 MCHR1 (0.43) MCHR1GRM5
SCHEMBL4413873 0.88 PRKDC (0.37) MCHR1MAOB
SCHEMBL4800792 0.87 MCHR1 (0.37) MCHR1
SCHEMBL4551641 0.87 MCHR1 (0.41) MCHR1
SCHEMBL4413929 0.86 KCNH2 (0.36) KCNH2

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
US-7572791-B2 Therapeutic morpholino-substituted compounds ASTRAZENECA AB (SE) 2009-08-11 US disclosed
US-20080312233-A1 Therapeutic Morpholino-Substituted Compounds KINACIA PTY. LTD. (AU) 2008-12-18 US disclosed
US-20080206312-A1 Therapeutic Morpholino-Substituted Compounds KINACIA PTY. LTD. (AU) 2008-08-28 US disclosed
US-7405211-B2 Using 2-morpholinyl-4H-pyrido(1,2-a)pyrimidin-4-one; enzyme inhibitors; antithrombotic agents ; restenosis; atherosclerosis; antihistamines; chronic obsessive pulminary disease; autoimmune diseases; anticancer agents; antiinflammatory agents ASTRAZENECA AB (SE) 2008-07-29 US disclosed
EP-1857443-A2 Therapeutic morpholino-substituted compounds AstraZeneca AB (SE) 2007-11-21 EP disclosed
EP-1257537-B1 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS ASTRAZENECA AB (SE) 2007-05-30 EP disclosed
US-6977255-B2 Therapeutic morpholino-substituted compounds KINACIA PTY. LTD. (AU) 2005-12-20 US disclosed
US-20050085471-A1 Therapeutic morpholino-substituted compounds KINACIA PTY LTD. 2005-04-21 US disclosed
EP-1257537-A4 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS KINACIA PTY LTD (AU) 2003-04-23 EP disclosed
EP-1257537-A1 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS Kinacia Pty Ltd (AU) 2002-11-20 EP disclosed
WO-2001053266-A1 THERAPEUTIC MORPHOLINO-SUBSTITUTED COMPOUNDS KINACIA PTY LTD. (AU) 2001-07-26 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-20050085471-A1 Therapeutic morpholino-substituted compounds PIK3CA, PTK2, PDPK1 MCHR1 4703/4885MAPK14 454/4885MAOB 3525/4885
US-20080206312-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 MCHR1 4701/4885MAPK14 457/4885MAOB 3490/4885
US-20080312233-A1 Therapeutic Morpholino-Substituted Compounds PIK3CA, PTK2, PDPK1 MCHR1 4701/4885MAPK14 457/4885MAOB 3490/4885

“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.