SCHEMBL5902829

SCHEMBL5902829

CN1CCC(C#CC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.57
F2 P00734 4/20 0.57
HRH4 Q9H3N8 3/20 0.54
HRH3 Q9Y5N1 2/20 0.54
SMYD3 Q9H7B4 1/20 0.48
HRH1 P35367 1/20 0.48
PYGL P06737 2/20 0.48
PYGM P11217 1/20 0.48

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
SCHEMBL4093939 1.00 F10 (0.57) F10F2HRH4HRH3SMYD3
SCHEMBL4088084 0.85 SMYD3 (0.55) F10F2SMYD3PYGL
SCHEMBL4088088 0.85 SMYD3 (0.55) F10F2SMYD3PYGL
SCHEMBL12669408 0.84 HRH4 (0.65) F10F2HRH4HRH3SMYD3
SCHEMBL4089036 0.82 F10 (0.59) F10F2HRH4HRH3
SCHEMBL4089034 0.82 F10 (0.59) F10F2HRH4HRH3
SCHEMBL15045011 0.81 RXFP1 (0.46) F10F2
SCHEMBL10279613 0.81 F10 (0.58) F10F2HRH4HRH3PYGL
SCHEMBL740465 0.81 HRH4 (0.48) F10F2HRH4HRH3SMYD3
SCHEMBL763948 0.80 F10 (0.57) F10F2HRH4HRH3SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 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 (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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 F10 126/4885F2 1/4885HRH4 186/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 F10 126/4885F2 1/4885HRH4 186/4885

“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.