SCHEMBL6229441

SCHEMBL6229441

COC(=O)c1c(OC)c(C#N)cc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HPGD P15428 5/20 0.52
KDM4E B2RXH2 4/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NCEH1 Q6PIU2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
KDM5A P29375 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
ERN1 O75460 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL4656053 0.87 KDM4E (0.51) ALDH1A1HPGDKDM4ENPSR1CLK1
SCHEMBL6605993 0.87 LMNA (0.45) ALDH1A1HPGDKDM4ENPSR1NCEH1
SCHEMBL6603583 0.87 ALDH1A1 (0.42) ALDH1A1HPGDKDM4ENPSR1NCEH1
SCHEMBL4656172 0.86 HPGD (0.43) ALDH1A1HPGDKDM4ENPSR1SMN1; SMN2
SCHEMBL10699646 0.84 NCEH1 (0.44) ALDH1A1HPGDKDM4ENPSR1NCEH1
SCHEMBL4676934 0.84 MEN1 (0.45) ALDH1A1HPGDKDM4ENPSR1NCEH1
SCHEMBL6510652 0.84 NCEH1 (0.44) ALDH1A1HPGDKDM4ENPSR1NCEH1
SCHEMBL6606670 0.83 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ENPSR1NCEH1
SCHEMBL4673550 0.82 NCEH1 (0.39) ALDH1A1HPGDKDM4ENPSR1NCEH1
SCHEMBL6603195 0.81 POLB (0.42) ALDH1A1HPGDKDM4ENPSR1NCEH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6963011-B2 N-(2-phenyl-3-aminopropyl)naphthamides ASTRAZENECA AB (SE) 2005-11-08 US disclosed
EP-1278719-B1 NAPHTHAMIDE NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2005-11-02 EP disclosed
US-6903092-B2 Naphthamide neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2005-06-07 US disclosed
EP-1307425-B1 NOVEL N-(2-PHENYL-3-AMINOPROPYL)NAPHTAMIDES ASTRAZENECA AB (SE) 2005-04-20 EP disclosed
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
US-6821973-B2 ANTAGONIZE THE PHARMACOLOGICAL ACTIONS OF THE ENDOGENOUS NEUROPEPTIDE TACHYKININS KNOWN AS NEUROKININS ASTRAZENECA AB (SE) 2004-11-23 US disclosed
EP-1169302-B1 N-(2-PHENYL-4-AMINO-BUTYL)-1-NAPHTHAMIDES AS NEUROKININ-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-09-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
US-20040106610-A1 Compounds BERNSTEIN PETER ROBERT (US) 2004-06-03 US disclosed
US-20040014809-A1 Novel n-( 2-phenyl-3-aminopropyl)naphtamides ASTRAZENECA AB (SE) 2004-01-22 US disclosed
US-6500818-B1 Naphthalenecarboxamides as tachykinin receptor antagonists ASTRAZENECA AB (SE) 2002-12-31 US disclosed
US-6476077-B1 N-(2-phenyl-4-amino-butyl)-1-naphthamides as neurokinin-1 receptor antagonists ASTRAZENECA AB (SE) 2002-11-05 US disclosed
WO-2002012168-A1 NOVEL N-(2-PHENYL-3-AMINOPROPYL)NAPHTAMIDES ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
EP-1169302-A1 N-(2-PHENYL-4-AMINO-BUTYL)-1-NAPHTHAMIDES AS NEUROKININ-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-01-09 EP disclosed
WO-2001077069-A1 NAPHTHAMIDE NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2001-10-18 WO disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
EP-1119355-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000059873-A1 N-(2-PHENYL-4-AMINO-BUTYL)-1-NAPHTHAMIDES AS NEUROKININ-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-10-12 WO disclosed
WO-2000020003-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 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 (2 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-20040106610-A1 Compounds NR2C2, NR0B2, NR5A2 ALDH1A1 2538/4885HPGD 3657/4885KDM4E 2462/4885
US-20040014809-A1 Novel n-( 2-phenyl-3-aminopropyl)naphtamides NPSR1, NTSR1, NPR1 ALDH1A1 1696/4885HPGD 1034/4885KDM4E 3528/4885

“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.