SCHEMBL1826470

SCHEMBL1826470

NC1(CCc2cccc3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
SLC18A2 Q05940 1/20 0.42
CYP2D6 P10635 2/20 0.42
NQO2 P16083 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL3047898 0.76 CYP1A2 (0.62) MTNR1ACYP1A2CYP2C19CYP2C9CYP2D6
SCHEMBL2473842 0.74 TAAR1 (0.53) CA2
SCHEMBL134400 0.72 CYP1A2 (0.54) MTNR1ASLC6A2SLC6A4CYP1A2CYP2C19
SCHEMBL9800436 0.72 CYP1A2 (0.58) MTNR1ASLC6A2SLC6A4CYP1A2CYP2C19
SCHEMBL5830948 0.72 GPR84 (0.59) MTNR1ACYP1A2CYP2C19CYP2C9CYP2D6
SCHEMBL2470343 0.71 TAAR1 (0.38) FFAR4
Bromide SCHEMBL29061338 0.71 CYP1A2 (0.52) MTNR1ASLC6A2SLC6A4CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL29761445 0.71 HPGD (0.55) MTNR1ASLC6A2SLC6A4CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL1491257 0.71 HPGD (0.55) MTNR1ASLC6A2SLC6A4CYP1A2CYP2C19
Iodide SCHEMBL31402351 0.71 CYP1A2 (0.52) MTNR1ASLC6A2SLC6A4CYP1A2CYP2C19

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 15 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
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-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-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-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-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-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-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 MTNR1A 224/4885SLC6A2 4781/4885SLC6A4 4448/4885
US-20050261286-A1 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament CHRM1, CHRM2, CHRM3 MTNR1A 224/4885SLC6A2 4781/4885SLC6A4 4448/4885

“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.