SCHEMBL5619045

SCHEMBL5619045

NCC1CN(C(=O)OCc2ccccc2)CCO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
GRIN2B Q13224 3/20 0.50
PREP P48147 1/20 0.44
PDE4B Q07343 1/20 0.44
HTT P42858 1/20 0.43
USP30 Q70CQ3 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTR2C P28335 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FAAH O00519 1/20 0.42
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42

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
SCHEMBL13070642 1.00 MEN1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL16985356 0.89 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL15697191 0.89 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL7020630 0.89 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL25111507 0.88 MEN1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL29259996 0.88 MEN1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL31198830 0.88 MEN1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL29259994 0.88 MEN1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL13059800 0.88 MEN1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL31252395 0.88 MEN1 (0.64) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157457-B2 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2007-01-02 US disclosed
EP-1324991-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
EP-1586567-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-10-19 EP disclosed
US-20040058907-A1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2004-03-25 US disclosed
EP-1324991-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-07-09 EP disclosed
EP-1194152-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-11-06 EP disclosed
EP-1194152-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-04-10 EP disclosed
WO-2002026723-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-04-04 WO disclosed
US-6316444-B1 SRC kinase inhibitor compounds MERCK & CO., INC. 2001-11-13 US disclosed
WO-2001000214-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 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-20040058907-A1 Compounds useful in the treatment of inflammatory diseases TNF, IL1B, IL4 MEN1 4362/4885KMT2A 3967/4885NPSR1 935/4885

“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.