SCHEMBL499775

SCHEMBL499775

[CH2]CCCCCc1ccc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.38
MAOA P21397 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL3391747 1.00 GPR84 (0.38) GPR84MAOADRD2DRD4DRD3
SCHEMBL4687381 0.98 GPR84 (0.35) GPR84MAOADRD2DRD4DRD3
SCHEMBL269445 0.91
SCHEMBL8955030 0.89 GPR84 (0.44) GPR84MAOADRD2DRD4DRD3
SCHEMBL7003873 0.87 GPR84 (0.41) GPR84MAOADRD2DRD4DRD3
SCHEMBL269227 0.82
SCHEMBL25406384 0.79 DAO (0.39) GPR84MAOA
SCHEMBL7976680 0.79 GPR84 (0.38) GPR84MAOADRD2DRD4DRD3
SCHEMBL5251062 0.79 HRH1 (0.48) MAOAHRH3
SCHEMBL25423256 0.79 GPR84 (0.38) GPR84MAOADRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373661-B1 NEW STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS LACER SA (ES) 2013-03-20 EP disclosed
US-8106224-B2 Stereospecific method for the preparation of dioxa-bicyclooctane nitrate compounds LACER, S.A. (ES) 2012-01-31 US disclosed
US-20110251409-A1 STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS LACER, S.A. (ES) 2011-10-13 US disclosed
EP-2149577-B1 New stereospecific method for the preparation of dioxa-bicyclooctane compounds LACER SA (ES) 2011-04-27 EP disclosed
US-20100160652-A1 STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS LACER, S.A. (ES) 2010-06-24 US disclosed
EP-2199294-A1 New stereospecific method for the preparation of dioxa bicyclooctane nitrate compounds LACER, S.A. (ES) 2010-06-23 EP disclosed
EP-2149577-A1 New stereospecific method for the preparation of dioxa-bicyclooctane compounds LACER, S.A. (ES) 2010-02-03 EP disclosed
US-7635782-B1 Stereospecific method for the preparation of dioxa-bicyclooctane compounds LACER, S.A. (ES) 2009-12-22 US 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-20110251409-A1 STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS TST, NOS3, NOS1 GPR84 2601/4885MAOA 255/4885DRD2 1335/4885
US-20100160652-A1 STEREOSPECIFIC METHOD FOR THE PREPARATION OF DIOXA-BICYCLOOCTANE NITRATE COMPOUNDS TST, NOS3, NOS1 GPR84 2961/4885MAOA 303/4885DRD2 1552/4885

“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.