SCHEMBL4689993

SCHEMBL4689993

COc1ccc(CNC(C)CN)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
KDM4E B2RXH2 4/20 0.53
ATM Q13315 3/20 0.53
ALDH1A1 P00352 4/20 0.51
CA2 P00918 2/20 0.50
POLB P06746 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.49
CYP19A1 P11511 1/20 0.46
MAPK1 P28482 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9119354 0.85 KMT2A (0.70) MEN1KMT2AKDM4EATMALDH1A1
SCHEMBL9781400 0.85 MEN1 (0.70) MEN1KMT2AKDM4EATMALDH1A1
SCHEMBL9119369 0.85 KMT2A (0.70) MEN1KMT2AKDM4EATMALDH1A1
SCHEMBL9781310 0.84 MEN1 (0.68) MEN1KMT2AKDM4EALDH1A1CA2
SCHEMBL7893820 0.83 KMT2A (0.67) MEN1KMT2AKDM4EATMALDH1A1
SCHEMBL6095767 0.80 KMT2A (0.63) MEN1KMT2AKDM4EATMALDH1A1
SCHEMBL6095764 0.80 KMT2A (0.63) MEN1KMT2AKDM4EATMALDH1A1
SCHEMBL4883659 0.79 KMT2A (0.62) MEN1KMT2AKDM4EATMALDH1A1
SCHEMBL4846803 0.79 MEN1 (0.62) MEN1KMT2AKDM4EATMALDH1A1
SCHEMBL4883645 0.79 KMT2A (0.62) MEN1KMT2AKDM4EATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468367-B2 Ethylene diamine derivatives and their use as orexin-receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2008-12-23 US disclosed
EP-1456203-B1 ETHYLENE DIAMINE DERIVATIVES AND THEIR USE AS OREXIN-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2008-08-20 EP disclosed
US-20050159421-A1 Ethylene diamine derivatives and their use as orexin-receptor antagonists SMITHKLINE BEECHAM PLC (GB) 2005-07-21 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-20050159421-A1 Ethylene diamine derivatives and their use as orexin-receptor antagonists HCRTR2, HCRTR1, GRPR MEN1 593/4885KMT2A 834/4885KDM4E 876/4885

“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.