SCHEMBL3869249

SCHEMBL3869249

O=C(NCCCO)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
SLC6A3 Q01959 8/20 0.39
LMNA P02545 1/20 0.38
P2RX7 Q99572 1/20 0.37
EPHX2 P34913 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL2646677 1.00 KCNH2 (0.42) KCNH2SLC6A3LMNAP2RX7EPHX2
SCHEMBL2662658 1.00 KCNH2 (0.42) KCNH2SLC6A3LMNAP2RX7EPHX2
SCHEMBL2645704 1.00 KCNH2 (0.42) KCNH2SLC6A3LMNAP2RX7EPHX2
SCHEMBL2662801 0.94 KCNH2 (0.43) KCNH2SLC6A3LMNAEPHX2METAP2
SCHEMBL2644753 0.94 KCNH2 (0.43) KCNH2SLC6A3LMNAEPHX2METAP2
SCHEMBL2645714 0.89 KCNH2 (0.43) KCNH2SLC6A3LMNAMETAP2METAP1
SCHEMBL2662486 0.89 KCNH2 (0.43) KCNH2SLC6A3LMNAMETAP2METAP1
SCHEMBL2646330 0.88 KCNH2 (0.44) KCNH2SLC6A3LMNACYP1A2CYP3A4
SCHEMBL2646821 0.87 KCNH2 (0.42) KCNH2SLC6A3LMNAMETAP2METAP1
SCHEMBL2645894 0.86 KCNH2 (0.46) KCNH2SLC6A3LMNAEPHX2CYP1A2

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-7534593-B2 Crystals of glucokinase and methods of growing them HOFFMANN-LA ROCHE INC. (US) 2009-05-19 US claimed
US-7534593-B2 Crystals of glucokinase and methods of growing them HOFFMANN-LA ROCHE INC. (US) 2009-05-19 US disclosed
US-20060141599-A1 Crystals of Glucokinase and methods of growing them CORBETT WENDY L 2006-06-29 US disclosed
US-6911545-B2 Crystals of glucokinase and methods of growing them HOFFMAN-LA ROCHE INC. (US) 2005-06-28 US disclosed
US-20030219887-A1 Crystals of glucokinase and methods of growing them HOFFMANN-LA ROCHE INC. 2003-11-27 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-20030219887-A1 Crystals of glucokinase and methods of growing them GCK, GCKR, GALK1 KCNH2 1294/4885SLC6A3 2940/4885LMNA 3719/4885

“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.