SCHEMBL3529969

SCHEMBL3529969

CC(C)(C)ON(C=O)CCCCCCOc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.50
CHRNA4 P43681 6/20 0.50
ORAI1 Q96D31 1/20 0.40
KMT2A Q03164 1/20 0.39
GRM2 Q14416 1/20 0.39
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 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
SCHEMBL6429804 0.95 CHRNB2 (0.52) CHRNB2CHRNA4ORAI1KMT2AGRM2
SCHEMBL7101849 0.74 CHRNB2 (0.81) CHRNB2CHRNA4
SCHEMBL6586674 0.72 MEN1 (0.43) KMT2AMAPT
SCHEMBL4888697 0.71 CHRNB2 (0.62) CHRNB2CHRNA4KMT2ANFKB1NFKB2
SCHEMBL19055583 0.71 CHRNB2 (0.62) CHRNB2CHRNA4KMT2ANFKB1NFKB2
SCHEMBL30542607 0.71 CHRNB2 (0.62) CHRNB2CHRNA4KMT2ANFKB1NFKB2
SCHEMBL9367178 0.71 CHRNB2 (0.62) CHRNB2CHRNA4KMT2ANFKB1NFKB2
SCHEMBL3229561 0.71 CHRNB2 (0.62) CHRNB2CHRNA4KMT2ANFKB1NFKB2
SCHEMBL7105377 0.70 CHRNB2 (0.84) CHRNB2CHRNA4SMN1; SMN2
Hydrochloric Acid SCHEMBL29969480 0.70 CHRNB2 (0.60) CHRNB2CHRNA4KMT2ANFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807682-B2 Pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2010-10-05 US disclosed
US-20080090842-A1 Novel pyridyl cyanoguanidine compounds LEO PHARMA A/S (DK) 2008-04-17 US disclosed
EP-1397355-A1 PYRIDYL CYANOGUANIDINE COMPOUNDS Leo Pharma A/S (DK) 2004-03-17 EP disclosed
WO-2002094813-A1 NOVEL PYRIDYL CYANOGUANIDINE COMPOUNDS LEO PHARMA A/S (DK) 2002-11-28 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-20080090842-A1 Novel pyridyl cyanoguanidine compounds DAO, CCNY, CBR1 CHRNB2 1463/4885CHRNA4 1435/4885ORAI1 3026/4885

“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.