SCHEMBL1823441

SCHEMBL1823441

Cc1cc(C)c(C)c(CC#N)c1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
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
SCHEMBL3255126 0.85 PGK1 (0.40) GAAPGK1PGK2HTT
SCHEMBL2713812 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14032484 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL25786413 0.76 HTT (0.32) ALDH1A1LMNAGAAHTT
SCHEMBL25786409 0.76 THRB (0.31) GAA
SCHEMBL6588948 0.76 ALDH1A1 (0.39) ALDH1A1LMNAGAAPGK1PGK2
SCHEMBL6589242 0.76 SLC11A2 (0.35) PGK1PGK2
SCHEMBL1022724 0.75 ATM (0.38) ALDH1A1LMNAGAA
SCHEMBL13681546 0.75 KDM4E (0.42) ALDH1A1LMNAHTT
SCHEMBL1612065 0.75 PGK1 (0.31) PGK1PGK2

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 ALDH1A1 1051/4885LMNA 2649/4885GAA 2668/4885
US-20050261286-A1 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament CHRM1, CHRM2, CHRM3 ALDH1A1 1051/4885LMNA 2649/4885GAA 2668/4885

“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.