SCHEMBL2543399

SCHEMBL2543399

COc1ccc2nccc(C[C@H](N)[C@H]3CC[C@H](NC(=O)OCc4ccccc4)CC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.47
DPP7 Q9UHL4 7/20 0.47
KCNH2 Q12809 7/20 0.47
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
EPHX1 P07099 1/20 0.39
CPB1 P15086 1/20 0.38

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
SCHEMBL2535504 1.00 DPP4 (0.47) DPP4DPP7KCNH2TSHRALDH1A1
SCHEMBL2543394 1.00 DPP4 (0.47) DPP4DPP7KCNH2TSHRALDH1A1
SCHEMBL2535506 1.00 DPP4 (0.47) DPP4DPP7KCNH2TSHRALDH1A1
SCHEMBL2541639 0.91 ALDH1A1 (0.45) DPP4DPP7KCNH2TSHRALDH1A1
SCHEMBL2541635 0.91 ALDH1A1 (0.45) DPP4DPP7KCNH2TSHRALDH1A1
SCHEMBL3114694 0.89 KCNH2 (0.42) DPP4DPP7KCNH2TSHRALDH1A1
SCHEMBL2538301 0.87 ALDH1A1 (0.41) DPP4DPP7KCNH2TSHRALDH1A1
SCHEMBL2538299 0.87 ALDH1A1 (0.41) DPP4DPP7KCNH2TSHRALDH1A1
SCHEMBL2543208 0.85 ALDH1A1 (0.52) DPP4DPP7KCNH2TSHRALDH1A1
SCHEMBL2543211 0.85 ALDH1A1 (0.52) DPP4DPP7KCNH2TSHRALDH1A1

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
EP-2094267-B1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-04-22 EP disclosed
US-8044044-B2 4-(1-amino-ethyl)-cyclohexylamine derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-25 US disclosed
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 DPP4 3755/4885DPP7 4318/4885KCNH2 296/4885

“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.