SCHEMBL4083850

SCHEMBL4083850

O=C(N[C@H]1CC2(CC[C@H]1NC(=O)OCc1ccccc1)OCCO2)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
CPB1 P15086 2/20 0.48
TSHR P16473 1/20 0.47
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
EPHX1 P07099 1/20 0.44
CTSB P07858 3/20 0.43
CTSK P43235 3/20 0.43
CTSL P07711 2/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTSS P25774 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4270198 1.00 ALDH1A1 (0.49) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL4270200 1.00 ALDH1A1 (0.49) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL12096431 1.00 ALDH1A1 (0.49) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL4363460 0.97 ALDH1A1 (0.46) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL4363457 0.97 ALDH1A1 (0.46) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL12035410 0.93 CPB1 (0.47) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL17852747 0.91 CPB1 (0.49) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL16378032 0.91 CPB1 (0.49) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL2989148 0.90 CPB1 (0.48) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL13823477 0.90 CPB1 (0.48) ALDH1A1GAACPB1TSHRKDM1A

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
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 ALDH1A1 2105/4885GAA 4312/4885CPB1 3850/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 ALDH1A1 2105/4885GAA 4312/4885CPB1 3850/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 ALDH1A1 2109/4885GAA 4278/4885CPB1 2994/4885

“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.