SCHEMBL3597040

SCHEMBL3597040

COc1ccc2nccc(C(O)C(N)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
SLC2A1 P11166 3/20 0.41
MAP4K4 O95819 2/20 0.41
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39

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
SCHEMBL16650256 1.00 KCNH2 (0.43) KCNH2SLC2A1MAP4K4JAK2JAK1
SCHEMBL16650254 1.00 KCNH2 (0.43) KCNH2SLC2A1MAP4K4JAK2JAK1
SCHEMBL16650253 1.00 KCNH2 (0.43) KCNH2SLC2A1MAP4K4JAK2JAK1
SCHEMBL2543045 0.91 KCNH2 (0.44) KCNH2SLC2A1MAP4K4JAK2JAK1
SCHEMBL2543049 0.91 KCNH2 (0.44) KCNH2SLC2A1MAP4K4JAK2JAK1
SCHEMBL2539623 0.89 KCNH2 (0.42) KCNH2SLC2A1MAP4K4JAK2JAK1
SCHEMBL2537316 0.89 KCNH2 (0.42) KCNH2SLC2A1MAP4K4JAK2JAK1
SCHEMBL2537310 0.89 KCNH2 (0.42) KCNH2SLC2A1MAP4K4JAK2JAK1
SCHEMBL2539625 0.89 KCNH2 (0.42) KCNH2SLC2A1MAP4K4JAK2JAK1
SCHEMBL4878459 0.85 KCNH2 (0.59) KCNH2SLC2A1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-04 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-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES AHR, KRAS, CNKSR1 KCNH2 296/4885SLC2A1 4234/4885MAP4K4 4499/4885

“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.