Sugi Predict

Sugi Predict / Compounds / SCHEMBL7498641

SCHEMBL7498641

SCHEMBL7498641

C[C@@H](c1ccccc1)N1C[C@H]2CCO[C@@]2(CNC(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 3/20 0.37
▸ CTSK P43235 3/20 0.36
▸ CTSS P25774 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ GPR88 Q9GZN0 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ CCR5 P51681 1/20 0.34

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
SCHEMBL4505507 0.81 UTS2R (0.39) UTS2RCTSKCTSSNPSR1KDM4E
SCHEMBL7491453 0.81 NPFFR1 (0.46) ALDH1A1KMT2ASYK
SCHEMBL8922758 0.81 NPFFR1 (0.46) ALDH1A1KMT2ASYK
SCHEMBL7499070 0.81 NPFFR1 (0.46) ALDH1A1KMT2ASYK
SCHEMBL7497961 0.76 CYP2D6 (0.40) ALDH1A1CCR5
SCHEMBL7499099 0.76 CYP2D6 (0.40) ALDH1A1CCR5
SCHEMBL6008976 0.74 KMT2A (0.39) UTS2RCTSKCTSSKMT2A
SCHEMBL31401115 0.74 KMT2A (0.39) UTS2RCTSKCTSSKMT2A
SCHEMBL4748025 0.73 KMT2A (0.36) UTS2RCTSKKMT2ACCR5
SCHEMBL4749646 0.72 UTS2R (0.34) UTS2RCTSKCTSSKMT2ACCR5

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-0944385-B1 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO 3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AG (DE) 2002-10-16 — — EP disclosed
US-20010036941-A1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders PETERSEN UWE (DE) 2001-11-01 — — US disclosed
US-6288081-B1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolone carboxylic acid and naphthyridone carboxylic acid derivatives for treating Helicobacter pylori infections and the gastroduodenal diseases associated therewith BAYER AKTIENGESELLSCHAFT (DE) 2001-09-11 — — 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-20010036941-A1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders OXER1, AOC3, PAM UTS2R 1711/4885CTSK 2697/4885CTSS 3924/4885

“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.