SCHEMBL13056577

SCHEMBL13056577

CCN(CC)CCCOc1cnc2c(c1)CCN2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
KDM4E B2RXH2 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
NNMT P40261 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KCNA5 P22460 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL8386320 0.80 NNMT (0.46) NNMTACHEGRM5
SCHEMBL8388284 0.74 NNMT (0.49) KDM4ENNMTACHEGRM5
SCHEMBL24765213 0.71 ADRA2A (0.52) MAOAKDM4ENNMTGRM5
SCHEMBL25068052 0.70 NNMT (0.45) NNMTGRM5
SCHEMBL12340834 0.69 NNMT (0.41) MAOAMAOBHRH3NNMTGRM5
SCHEMBL22584978 0.67 KDM4E (0.49) MAOBKDM4EHRH3
SCHEMBL5638601 0.67 MAOB (0.50) MAOAMAOBHRH3BCHEACHE
SCHEMBL5637627 0.67 HRH3 (0.58) MAOAMAOBKDM4EHRH3
SCHEMBL1267580 0.67 KDM4E (0.46) MAOAMAOBKDM4E
SCHEMBL1798509 0.66 KDM4E (0.59) MAOAMAOBKDM4EBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846941-B2 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. (US) 2010-12-07 US disclosed
US-20070032519-A1 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. 2007-02-08 US 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-20070032519-A1 Compounds modulating c-kit and c-fms activity and uses therefor KIT, FLT3, FLT1 MAOA 1279/4885MAOB 621/4885KDM4E 2130/4885

“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.