SCHEMBL1825520

SCHEMBL1825520

NC1(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.55
MAOA P21397 3/20 0.55
TAAR1 Q96RJ0 1/20 0.48
IDO1 P14902 4/20 0.47
KDM1A O60341 2/20 0.44
RCOR1 Q9UKL0 1/20 0.44
SLC6A3 Q01959 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KIF11 P52732 1/20 0.41
KMT2A Q03164 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
SCHEMBL5274756 0.80 IDO1 (0.47) MAOBMAOAIDO1KMT2A
SCHEMBL2473067 0.78 TAAR1 (0.54) MAOBMAOATAAR1IDO1KDM1A
SCHEMBL5349239 0.77 MAOB (0.61) MAOBMAOATAAR1IDO1KDM1A
SCHEMBL29587966 0.76 POLB (0.46) TAAR1IDO1SLC6A3POLBGAA
SCHEMBL1826744 0.76 AKT2 (0.53) MAOBMAOAKDM1ARCOR1SLC6A3
SCHEMBL1823450 0.74 MAOB (0.64) MAOBMAOAKDM1AALDH1A1KMT2A
SCHEMBL23601588 0.72 MAOA (0.61) MAOBMAOATAAR1IDO1POLB
SCHEMBL5644096 0.72 MAOA (0.61) MAOBMAOAIDO1KDM1A
SCHEMBL1823270 0.72 MAOA (0.61) MAOBMAOATAAR1IDO1KDM1A
SCHEMBL16041470 0.72 MAOA (0.61) MAOBMAOATAAR1IDO1KDM1A

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 MAOB 852/4885MAOA 704/4885TAAR1 419/4885
US-20050261286-A1 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament CHRM1, CHRM2, CHRM3 MAOB 852/4885MAOA 704/4885TAAR1 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.