SCHEMBL509608

SCHEMBL509608

[CH2]N1CCC(C(N)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
GAA P10253 2/20 0.47
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.42
APEX1 P27695 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
CHRM1 P11229 1/20 0.40
HSD17B10 Q99714 1/20 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
SCHEMBL5074242 0.77 SMN1; SMN2 (0.56) SMN1; SMN2GAAALDH1A1CYP3A4MEN1
SCHEMBL2239761 0.77 TSHR (0.44) L3MBTL1KDM4ENPSR1HSD17B10
SCHEMBL7428953 0.77 SMN1; SMN2 (0.56) SMN1; SMN2GAAALDH1A1CYP3A4MEN1
SCHEMBL23352009 0.76 SMN1; SMN2 (0.50) SMN1; SMN2GAAALDH1A1CYP3A4MEN1
SCHEMBL4757619 0.76 GAA (0.53) SMN1; SMN2GAAALDH1A1TDP1KDM4E
SCHEMBL13116870 0.75 SMN1; SMN2 (0.54) SMN1; SMN2GAAALDH1A1CYP3A4MEN1
SCHEMBL14421937 0.75 SMN1; SMN2 (0.54) SMN1; SMN2GAAALDH1A1CYP3A4MEN1
SCHEMBL11039671 0.75 SMN1; SMN2 (0.59) SMN1; SMN2GAAALDH1A1CYP3A4MEN1
SCHEMBL274448 0.75 SMN1; SMN2 (0.59) SMN1; SMN2GAAALDH1A1CYP3A4MEN1
SCHEMBL7358278 0.75 GAA (0.57) SMN1; SMN2GAAALDH1A1TDP1KDM4E

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-6686467-B2 INHIBITORS OF THE PRODUCTION OF CYTOKINES SUCH AS TUMOUR NECROSIS FACTOR (HEREINAFTER TNF), FOR EXAMPLE TNF ALPHA , AND VARIOUS MEMBERS OF THE INTERLEUKIN (HEREINAFTER IL) FAMILY, FOR EXAMPLE IL-1, IL-6 AND IL-8 ZENECA LIMITED (GB) 2004-02-03 US claimed
US-20030166730-A1 Amide derivatives for the treatment of diseases mediated by cytokines ZENECA LIMITED 2003-09-04 US claimed
EP-1017378-B1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2002-12-11 EP claimed
JP-2001517620-A 2001-10-09 JP claimed
EP-1017378-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca UK Limited (GB) 2000-07-12 EP claimed
WO-1999015164-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ZENECA LIMITED (GB) 1999-04-01 WO claimed
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-20030166730-A1 Amide derivatives for the treatment of diseases mediated by cytokines ZENECA LIMITED 2003-09-04 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US disclosed
US-6498274-B1 Amide derivatives for the treatment of diseases mediated by cytokines ZENECA LIMITED (GB) 2002-12-24 US disclosed
EP-1017378-B1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2002-12-11 EP disclosed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO disclosed
EP-1017378-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca UK Limited (GB) 2000-07-12 EP disclosed
WO-1999015164-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ZENECA LIMITED (GB) 1999-04-01 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 SMN1; SMN2 3225/4885GAA 746/4885ALDH1A1 1080/4885
US-20030166730-A1 Amide derivatives for the treatment of diseases mediated by cytokines IL2, IL6, IL6ST SMN1; SMN2 3211/4885GAA 3201/4885ALDH1A1 262/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD SMN1; SMN2 3432/4885GAA 567/4885ALDH1A1 886/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 SMN1; SMN2 2943/4885GAA 710/4885ALDH1A1 385/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS SMN1; SMN2 1509/4885GAA 1003/4885ALDH1A1 649/4885

“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.