SCHEMBL3060548

SCHEMBL3060548

C[C@H]1CN(CCCl)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.50
HTR2A P28223 2/20 0.43

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
SCHEMBL3060551 1.00 GRM2 (0.50) GRM2HTR2A
SCHEMBL13842607 0.82 GRM2 (0.47) GRM2HTR2A
SCHEMBL3061781 0.81 GRM2 (0.46) GRM2HTR2A
SCHEMBL3061779 0.81 GRM2 (0.46) GRM2HTR2A
SCHEMBL6551782 0.79 MAPK1 (0.50) GRM2HTR2A
SCHEMBL12058915 0.78
SCHEMBL6551761 0.78
SCHEMBL15013888 0.78
SCHEMBL15211067 0.76
SCHEMBL13842608 0.75 GRM2 (0.47) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267718-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them HIMMELSBACH FRANK 2010-10-21 US disclosed
US-20100267718-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them HIMMELSBACH FRANK 2010-10-21 US disclosed
US-20100267718-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them HIMMELSBACH FRANK 2010-10-21 US disclosed
US-7196091-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-27 US disclosed
US-7196091-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-27 US disclosed
US-7196091-B2 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-27 US disclosed
US-20060264450-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them HIMMELSBACH FRANK 2006-11-23 US disclosed
EP-1641767-A2 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PREPARING THE SAME Boehringer Ingelheim International GmbH (DE) 2006-04-05 EP disclosed
US-20050014772-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
WO-2004108664-A2 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PREPARING THE SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-16 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-20050014772-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 GRM2 3045/4885HTR2A 2932/4885
US-20060264450-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 GRM2 3045/4885HTR2A 2932/4885
US-20100267718-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 GRM2 3045/4885HTR2A 2932/4885

“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.