SCHEMBL1824988

SCHEMBL1824988

COc1ccc(CC2(N)CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 1/20 0.46
TSHR P16473 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
IDO1 P14902 3/20 0.44
AGXT P21549 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
Hydrochloric Acid SCHEMBL3967323 0.98 IDO1 (0.46) SLC6A4SLC6A3TSHRMAOAMAOB
SCHEMBL1822033 0.98 MAOB (0.47) SLC6A4SLC6A3TSHRMAOAMAOB
Hydrochloric Acid SCHEMBL3966019 0.96 IDO1 (0.47) SLC6A4SLC6A3TSHRMAOAMAOB
SCHEMBL4868046 0.92 TDP1 (0.52) SLC6A4SLC6A3TSHRMAOAMAOB
SCHEMBL1824702 0.91 MAOB (0.55) SLC6A4TSHRMAOAMAOBIDO1
SCHEMBL1820761 0.83 TSHR (0.50) SLC6A4SLC6A3TSHRMAOBIDO1
SCHEMBL4868053 0.82 GAA (0.37) TSHRMAOAMAOBIDO1AGXT
Hydrochloric Acid SCHEMBL3964945 0.81 TSHR (0.49) SLC6A4SLC6A3TSHRMAOBIDO1
SCHEMBL2371058 0.81 TAAR1 (0.52) SLC6A4SLC6A3TSHRMAOBIDO1
SCHEMBL31304814 0.80 TSHR (0.47) SLC6A4SLC6A3TSHRIDO1AGXT

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-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 SLC6A4 4448/4885SLC6A3 4799/4885TSHR 2041/4885
US-20050261286-A1 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament CHRM1, CHRM2, CHRM3 SLC6A4 4448/4885SLC6A3 4799/4885TSHR 2041/4885

“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.