SCHEMBL4095043

SCHEMBL4095043

N[C@@H]1CCC2(C[C@@H]1NC(=O)c1cc3cc(Cl)ccc3[nH]1)OCCO2

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.57
PYGL P06737 13/20 0.46
PYGM P11217 10/20 0.46
EHMT2 Q96KQ7 1/20 0.46
F10 P00742 3/20 0.45
CYP51A1 Q16850 1/20 0.44

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
SCHEMBL2937418 1.00 SMYD3 (0.57) SMYD3PYGLPYGMEHMT2F10
SCHEMBL2937416 1.00 SMYD3 (0.57) SMYD3PYGLPYGMEHMT2F10
SCHEMBL2940963 0.92 SMYD3 (0.57) SMYD3PYGLPYGMEHMT2F10
SCHEMBL2940961 0.92 SMYD3 (0.57) SMYD3PYGLPYGMEHMT2F10
SCHEMBL4090133 0.92 SMYD3 (0.57) SMYD3PYGLPYGMEHMT2F10
SCHEMBL10476606 0.84 SMYD3 (0.59) SMYD3PYGLPYGMEHMT2F10
SCHEMBL4093554 0.84 SMYD3 (0.59) SMYD3PYGLPYGMEHMT2F10
SCHEMBL2936945 0.84 SMYD3 (0.59) SMYD3PYGLPYGMEHMT2F10
SCHEMBL2936948 0.84 SMYD3 (0.59) SMYD3PYGLPYGMEHMT2F10
SCHEMBL2934972 0.82 SMYD3 (0.57) SMYD3PYGLPYGMEHMT2F10

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
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
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP 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 (3 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 SMYD3 995/4885PYGL 3056/4885PYGM 4146/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 SMYD3 995/4885PYGL 3056/4885PYGM 4146/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 SMYD3 1262/4885PYGL 2722/4885PYGM 4091/4885

“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.