SCHEMBL5254253

SCHEMBL5254253

O=C1OCCC1C1CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 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
SCHEMBL31547150 0.80 ALDH1A1 (0.32)
SCHEMBL11858505 0.80 ALDH1A1 (0.32)
SCHEMBL11857778 0.78 MAPT (0.32)
SCHEMBL2299371 0.78 MAPT (0.32)
SCHEMBL7909118 0.78 MAPT (0.32)
SCHEMBL24603326 0.74 ALDH1A1 (0.30)
SCHEMBL10442623 0.74 NOS3 (0.30)
SCHEMBL3859583 0.74 ALDH1A1 (0.30)
SCHEMBL3859581 0.74 ALDH1A1 (0.30)
SCHEMBL10442622 0.74 NOS3 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280798-B1 BICYCLIC HETEROCYLCES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PRODUCING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2007-01-03 EP disclosed
US-6627634-B2 Antitumor agents, treatment of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-30 US disclosed
EP-1280798-A1 BICYCLIC HETEROCYLCES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PRODUCING THEM Boehringer Ingelheim Pharma KG (DE) 2003-02-05 EP disclosed
US-20010044435-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2001-11-22 US disclosed
WO-2001077104-A1 BICYCLIC HETEROCYLCES, MEDICAMENTS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PRODUCING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2001-10-18 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-20010044435-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them RET, BMX, CYP11B1 PLG 3063/4885GABRA1 558/4885GABRG2 1327/4885

“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.