SCHEMBL4230239

SCHEMBL4230239

CCOC(=O)CN(C)CCCCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 1/20 0.37
KDM5A P29375 2/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33

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
SCHEMBL16213831 0.85 LTA4H (0.49) LTA4HCA12CA1CA2CA9
SCHEMBL28810557 0.81 LTA4H (0.50) LTA4HCA12CA1CA2CA9
SCHEMBL4230083 0.81 LTA4H (0.50) LTA4HCA12CA1CA2CA9
SCHEMBL1418369 0.81 CYP1A2 (0.55) LTA4HCA12CA1CA2CA9
SCHEMBL19317379 0.80 CA12 (0.52) LTA4HCA12CA1CA2CA9
Hydrochloric Acid SCHEMBL1417999 0.80 CYP1A2 (0.53) LTA4HCA12CA1CA2CA9
SCHEMBL12589581 0.80 CA12 (0.59) LTA4HCA12CA1CA2CA9
SCHEMBL18596647 0.79 LTA4H (0.51) LTA4HCA12CA1CA2CA9
SCHEMBL9830045 0.79 MEN1 (0.52) LTA4HCA12CA1CA2CA9
SCHEMBL16914705 0.79 CA12 (0.50) LTA4HCA12CA1CA2CA9

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
US-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-13 US disclosed
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-23 US disclosed
EP-1163227-B1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 EP disclosed
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-28 US disclosed
EP-1163227-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055141-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 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 (3 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-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM REN, APC, PKD1 LTA4H 1225/4885CA12 658/4885CA1 1790/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 LTA4H 1225/4885CA12 658/4885CA1 1790/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 LTA4H 1684/4885CA12 1080/4885CA1 1927/4885

“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.