SCHEMBL1822033

SCHEMBL1822033

COc1ccc(CC2(N)CCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
IDO1 P14902 3/20 0.46
AGXT P21549 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 1/20 0.44
TSHR P16473 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL1824988 0.98 SLC6A4 (0.46) MAOBMAOAIDO1AGXTTAAR1
Hydrochloric Acid SCHEMBL3966019 0.98 IDO1 (0.47) MAOBMAOAIDO1AGXTTAAR1
Hydrochloric Acid SCHEMBL3967323 0.96 IDO1 (0.46) MAOBMAOAIDO1AGXTTAAR1
SCHEMBL4868046 0.93 TDP1 (0.52) MAOBMAOAIDO1AGXTTAAR1
SCHEMBL1824702 0.92 MAOB (0.55) MAOBMAOAIDO1AGXTTAAR1
SCHEMBL4868053 0.83 GAA (0.37) MAOBMAOAIDO1AGXTTSHR
SCHEMBL2371058 0.82 TAAR1 (0.52) MAOBIDO1AGXTTAAR1SLC6A4
SCHEMBL1820761 0.81 TSHR (0.50) MAOBIDO1AGXTTAAR1SLC6A4
Hydrochloric Acid SCHEMBL3964945 0.80 TSHR (0.49) MAOBIDO1AGXTTAAR1SLC6A4
SCHEMBL4868057 0.78 SLC6A4 (0.40) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078398-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2023-05-11 WO disclosed
EP-1761509-B1 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-05-04 EP disclosed
US-7563806-B2 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-21 US disclosed
US-7423035-B2 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-09 US disclosed
US-20080146554-A1 Substituted Cycloalkyl Derivatives, Process for the Manufacture thereof and Use thereof as Medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 US disclosed
US-20050261286-A1 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
EP-1595873-A1 Substituted cycloalkyl derivatives for the treatment of respiratory diseases Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-11-16 EP 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-20080146554-A1 Substituted Cycloalkyl Derivatives, Process for the Manufacture thereof and Use thereof as Medicament CHRM1, CHRM2, CHRM3 MAOB 852/4885MAOA 704/4885IDO1 1675/4885
US-20050261286-A1 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament CHRM1, CHRM2, CHRM3 MAOB 852/4885MAOA 704/4885IDO1 1675/4885

“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.