SCHEMBL5859684

SCHEMBL5859684

C[C@@H](N=C1CN(Cc2ccccc2)C(=O)C12CC2)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD11B1 P28845 5/20 0.47
OPRM1 P35372 8/20 0.43
OPRL1 P41146 8/20 0.43
OPRK1 P41145 6/20 0.43
IDH1 O75874 1/20 0.37
EPHX2 P34913 1/20 0.36
ELANE P08246 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL5859687 1.00 MEN1 (0.47) MEN1KMT2AHSD11B1OPRM1OPRL1
SCHEMBL5859679 1.00 MEN1 (0.47) MEN1KMT2AHSD11B1OPRM1OPRL1
SCHEMBL8775328 0.79 KMT2A (0.54) MEN1KMT2AOPRM1OPRL1OPRK1
SCHEMBL8775485 0.79 KMT2A (0.54) MEN1KMT2AOPRM1OPRL1OPRK1
SCHEMBL12247772 0.79 KMT2A (0.54) MEN1KMT2AOPRM1OPRL1OPRK1
SCHEMBL1190299 0.78 KMT2A (0.50) MEN1KMT2AOPRM1OPRL1OPRK1
SCHEMBL1190301 0.78 KMT2A (0.50) MEN1KMT2AOPRM1OPRL1OPRK1
SCHEMBL12492369 0.74 KMT2A (0.58) MEN1KMT2AOPRM1OPRL1OPRK1
SCHEMBL12492368 0.74 KMT2A (0.58) MEN1KMT2AOPRM1OPRL1OPRK1
SCHEMBL1189753 0.73 KMT2A (0.61) MEN1KMT2AOPRM1OPRL1OPRK1

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-7109350-B2 Process for the preparation of optically active amines or salts thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-19 US disclosed
US-20040235928-A1 Process for the preparation of optically active amines or salts thereof DAICEL CHEMICAL INDUSTRIES, LTD. 2004-11-25 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-20040235928-A1 Process for the preparation of optically active amines or salts thereof RER1, H1-0, H1-2 MEN1 511/4885KMT2A 228/4885HSD11B1 25/4885

“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.