SCHEMBL763948

SCHEMBL763948

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.57
F2 P00734 4/20 0.57
HRH4 Q9H3N8 2/20 0.54
HRH3 Q9Y5N1 1/20 0.54
SMYD3 Q9H7B4 1/20 0.54
PYGL P06737 2/20 0.52
EHMT2 Q96KQ7 1/20 0.50

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
Hydrochloric Acid SCHEMBL4094389 0.99 F10 (0.57) F10F2HRH4HRH3SMYD3
Hydrochloric Acid SCHEMBL4094386 0.99 F10 (0.57) F10F2HRH4HRH3SMYD3
SCHEMBL12669408 0.84 HRH4 (0.65) F10F2HRH4HRH3SMYD3
SCHEMBL10279613 0.81 F10 (0.58) F10F2HRH4HRH3PYGL
SCHEMBL5902829 0.80 F10 (0.57) F10F2HRH4HRH3SMYD3
SCHEMBL4093939 0.80 F10 (0.57) F10F2HRH4HRH3SMYD3
Hydrochloric Acid SCHEMBL741427 0.80 HRH4 (0.48) F10F2HRH4HRH3SMYD3
SCHEMBL13696605 0.79 SMYD3 (0.61) F10F2SMYD3PYGLEHMT2
SCHEMBL11888195 0.79 SMYD3 (0.61) F10F2SMYD3PYGLEHMT2
SCHEMBL4363306 0.79 SMYD3 (0.63) F10F2SMYD3PYGLEHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 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-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-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-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 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-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.