SCHEMBL4029023

SCHEMBL4029023

CN(C)C(=O)CNC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.34
PRMT3 O60678 1/20 0.33
GAA P10253 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HDAC4 P56524 1/20 0.31
CRBN Q96SW2 1/20 0.31
TSHR P16473 3/20 0.30
NFKB1 P19838 2/20 0.30
CYP1A2 P05177 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
THPO P40225 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CA5A P35218 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
CA9 Q16790 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
SCHEMBL2597884 0.77 CYP2D6 (0.39) ALDH1A1PRMT3GAARXFP1HDAC4
SCHEMBL5945865 0.77 KDM4E (0.40) ALDH1A1PRMT3GAARXFP1HDAC4
SCHEMBL9156485 0.74
SCHEMBL13853544 0.73 PRMT3 (0.39) ALDH1A1PRMT3GAARXFP1HDAC4
SCHEMBL17447516 0.73 MEN1 (0.46) ALDH1A1PRMT3GAARXFP1HDAC4
SCHEMBL13627778 0.73 EPHX1 (0.39) ALDH1A1PRMT3GAARXFP1HDAC4
SCHEMBL10414888 0.73 EGLN1 (0.31) GAARXFP1
SCHEMBL11290372 0.73 ALDH1A1 (0.35) ALDH1A1PRMT3GAARXFP1LMNA
SCHEMBL12530768 0.71 ALDH1A1 (0.39) ALDH1A1TDP1PRMT3GAARXFP1
SCHEMBL18854339 0.71 PREP (0.36) ALDH1A1PRMT3GAARXFP1HDAC4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345899-B1 N-substituted amides as NK1 receptor antagonists ASTRAZENECA AB (SE) 2009-01-14 EP claimed
US-7064136-B2 Compounds ASTRAZENECA AB (SE) 2006-06-20 US claimed
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP claimed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP claimed
US-20040058916-A1 Compounds ASTRAZENECA AB (SE) 2004-03-25 US claimed
EP-1345899-A1 COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP claimed
WO-2002051807-A1 COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 WO claimed
EP-1137637-A1 N-(2-PHENYL-4-PIPERIDINYLBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-10-04 EP claimed
WO-2000034243-A1 N-(2-PHENYL-4-PIPERIDINYBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-06-15 WO claimed
EP-1345899-B1 N-substituted amides as NK1 receptor antagonists ASTRAZENECA AB (SE) 2009-01-14 EP disclosed
US-7064136-B2 Compounds ASTRAZENECA AB (SE) 2006-06-20 US disclosed
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
US-20040058916-A1 Compounds ASTRAZENECA AB (SE) 2004-03-25 US disclosed
WO-2002051807-A1 COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 WO disclosed
US-6403601-B1 TREATMENT OF ASTHMA, ANXIETY, DEPRESSION, EMESIS, URINARY INCONTINENCE AND RELATED CONDITIONS. ASTRAZENECA AB (SE) 2002-06-11 US disclosed
EP-1137637-A1 N-(2-PHENYL-4-PIPERIDINYLBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-10-04 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000034243-A1 N-(2-PHENYL-4-PIPERIDINYBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-06-15 WO disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 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 (1 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-20040058916-A1 Compounds CYP11B2, CYP11B1, PCSK9 ALDH1A1 816/4885TDP1 2473/4885PRMT3 3645/4885

“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.