Sugi Predict

Sugi Predict / Compounds / SCHEMBL2537288

SCHEMBL2537288

SCHEMBL2537288

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.44
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ SLC2A1 P11166 1/20 0.38
▸ MAP4K4 O95819 2/20 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
SCHEMBL3374492 1.00 KCNH2 (0.44) KCNH2MTNR1AMTNR1BJAK2JAK1
SCHEMBL3374498 1.00 KCNH2 (0.44) KCNH2MTNR1AMTNR1BJAK2JAK1
SCHEMBL2537286 1.00 KCNH2 (0.44) KCNH2MTNR1AMTNR1BJAK2JAK1
SCHEMBL2332009 0.88 KCNH2 (0.45) KCNH2
SCHEMBL2325928 0.88 KCNH2 (0.45) KCNH2
SCHEMBL3111370 0.88 KCNH2 (0.45) KCNH2
SCHEMBL2541639 0.84 ALDH1A1 (0.45) KCNH2MTNR1AMTNR1BJAK2JAK1
SCHEMBL2541635 0.84 ALDH1A1 (0.45) KCNH2MTNR1AMTNR1BJAK2JAK1
SCHEMBL2543045 0.83 KCNH2 (0.44) KCNH2MTNR1AMTNR1BJAK2JAK1
SCHEMBL2543049 0.83 KCNH2 (0.44) KCNH2MTNR1AMTNR1BJAK2JAK1

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 6 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
EP-1987040-B1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-10 — — EP disclosed
US-7820655-B2 Ethanol or 1,2-ethanediol cyclohexyl antibiotic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-26 — — US disclosed
US-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-04 — — US disclosed
US-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 — — 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 (2 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-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus RBPJ, RXRA, MRPL21 KCNH2 1821/4885MTNR1A 50/4885MTNR1B 57/4885
US-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES AHR, KRAS, CNKSR1 KCNH2 296/4885MTNR1A 355/4885MTNR1B 505/4885

“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.