SCHEMBL7499099

SCHEMBL7499099

C[C@@H](c1ccccc1)N1C[C@H]2CCO[C@@]2(CN)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
MC4R P32245 1/20 0.36
CCR5 P51681 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
OPRD1 P41143 1/20 0.35
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GLA P06280 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL7497961 1.00 CYP2D6 (0.40) CYP2D6MC4RCCR5OPRM1OPRK1
SCHEMBL7498641 0.76 UTS2R (0.37) CCR5ALDH1A1
SCHEMBL7492577 0.75 CYP2D6 (0.40) CYP2D6MC4RCCR5OPRM1OPRK1
SCHEMBL7493871 0.75 CYP2D6 (0.40) CYP2D6MC4RCCR5OPRM1OPRK1
SCHEMBL7497625 0.75 CYP2D6 (0.40) CYP2D6MC4RCCR5OPRM1OPRK1
SCHEMBL4506500 0.75 CYP2D6 (0.45) CYP2D6MC4RCCR5OPRM1OPRK1
SCHEMBL7495999 0.73 CHRM3 (0.39) CYP2D6ALDH1A1
Ammonia Solution, Strong SCHEMBL4506501 0.68 CYP2D6 (0.50) CYP2D6MC4RCCR5OPRM1OPRK1
SCHEMBL22855892 0.66 CYP2D6 (0.47) CYP2D6MC4RCCR5OPRM1OPRK1
SCHEMBL29598433 0.66 CYP2D6 (0.47) CYP2D6MC4RCCR5OPRM1OPRK1

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 CYP2D6 57/4885MC4R 1268/4885CCR5 2936/4885

“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.