SCHEMBL4090133

SCHEMBL4090133

N[C@H]1CC2(CC[C@H]1NC(=O)c1cc3cc(Cl)ccc3[nH]1)OCCO2

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.57
PYGL P06737 9/20 0.46
PYGM P11217 6/20 0.46
EHMT2 Q96KQ7 1/20 0.46
CYP51A1 Q16850 1/20 0.46
F10 P00742 3/20 0.45
IDO1 P14902 4/20 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
SCHEMBL2940961 1.00 SMYD3 (0.57) SMYD3PYGLPYGMEHMT2CYP51A1
SCHEMBL2940963 1.00 SMYD3 (0.57) SMYD3PYGLPYGMEHMT2CYP51A1
SCHEMBL2937416 0.92 SMYD3 (0.57) SMYD3PYGLPYGMEHMT2CYP51A1
SCHEMBL2937418 0.92 SMYD3 (0.57) SMYD3PYGLPYGMEHMT2CYP51A1
SCHEMBL4095043 0.92 SMYD3 (0.57) SMYD3PYGLPYGMEHMT2CYP51A1
SCHEMBL10476669 0.84 SMYD3 (0.59) SMYD3PYGLPYGMEHMT2CYP51A1
SCHEMBL12035448 0.84 SMYD3 (0.59) SMYD3PYGLPYGMEHMT2CYP51A1
SCHEMBL2942607 0.84 SMYD3 (0.59) SMYD3PYGLPYGMEHMT2CYP51A1
SCHEMBL2942606 0.84 SMYD3 (0.59) SMYD3PYGLPYGMEHMT2CYP51A1
SCHEMBL4095708 0.82 SMYD3 (0.57) SMYD3PYGLPYGMEHMT2CYP51A1

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 5 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

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.