SCHEMBL3964601

SCHEMBL3964601

Nc1ccc(C(N)C2CCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
EPHX1 P07099 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A3 Q01959 4/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
RPS6KB1 P23443 3/20 0.35
NFE2L2 Q16236 1/20 0.34
DHODH Q02127 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC18A3 Q16572 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL3972540 0.91 MEN1 (0.38) IDO1SLC6A3MEN1MAPTKMT2A
SCHEMBL12052190 0.81 RPS6KB1 (0.46) IDO1RAB9ARPS6KB1SLC6A2SLC6A4
SCHEMBL8249942 0.81 RPS6KB1 (0.46) IDO1RAB9ARPS6KB1SLC6A2SLC6A4
SCHEMBL1396044 0.81 RPS6KB1 (0.46) IDO1RAB9ARPS6KB1SLC6A2SLC6A4
SCHEMBL20721292 0.80 IDO1 (0.55) IDO1GAAMEN1MAPTKMT2A
SCHEMBL2677194 0.80 IDO1 (0.55) IDO1GAAMEN1MAPTKMT2A
SCHEMBL295253 0.80 IDO1 (0.55) IDO1GAAMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL13822584 0.79 RPS6KB1 (0.45) IDO1RPS6KB1SLC6A2SLC6A4
SCHEMBL22868078 0.79 OPRM1 (0.44) IDO1EPHX1RAB9AMEN1MAPT
SCHEMBL12052187 0.79 RPS6KB1 (0.45) IDO1EPHX1RAB9ARPS6KB1SLC6A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 IDO1 1675/4885EPHX1 488/4885GAA 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.