SCHEMBL1824875

SCHEMBL1824875

NC1(COc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
TAAR1 Q96RJ0 1/20 0.45
KCNA3 P22001 1/20 0.44
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
SCN4A P35499 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LTA4H P09960 1/20 0.39
PLA2G2A P14555 1/20 0.39
AOC3 Q16853 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL4205437 0.92 TAAR1 (0.42) MAOAMAOBTAAR1KCNA3ALDH1A1
SCHEMBL3515342 0.82 TAAR1 (0.41) TAAR1KCNA3ALDH1A1RECQLSCN4A
SCHEMBL16622971 0.79 APP (0.39) MAOBALDH1A1LTA4H
SCHEMBL5227714 0.79 APP (0.45)
SCHEMBL1823276 0.79 ATF4 (0.44) MAOBSCN4A
SCHEMBL6138305 0.77 CHRNB2 (0.49)
Hydrochloric Acid SCHEMBL6138572 0.76 CHRNB2 (0.51)
SCHEMBL12453902 0.75 TAAR1 (0.47) MAOAMAOBTAAR1KCNA3ALDH1A1
SCHEMBL22656555 0.75 TAAR1 (0.42) MAOATAAR1KCNA3ALDH1A1RECQL
SCHEMBL24780612 0.74 KCNA3 (0.44) TAAR1KCNA3ALDH1A1RECQLTDP1

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 8 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
EP-1761509-A2 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-14 EP disclosed
WO-2005111002-A2 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO 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 MAOA 704/4885MAOB 852/4885TAAR1 419/4885
US-20050261286-A1 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament CHRM1, CHRM2, CHRM3 MAOA 704/4885MAOB 852/4885TAAR1 419/4885

“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.