SCHEMBL610259

SCHEMBL610259

O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCNCC2

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 19/20 0.63
METAP2 P50579 1/20 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
Acetic Acid SCHEMBL744438 0.93 LIPE (0.62) LIPEMETAP2
SCHEMBL10163 0.85 LIPE (0.64) LIPEMETAP2
SCHEMBL336236 0.85 LIPE (0.55) LIPEMETAP2
SCHEMBL744384 0.84 LIPE (0.62) LIPE
SCHEMBL12273560 0.83 LIPE (0.63) LIPE
SCHEMBL5460 0.83 LIPE (0.69) LIPE
SCHEMBL12724116 0.83 LIPE (0.65) LIPE
SCHEMBL11375 0.83 LIPE (0.69) LIPE
SCHEMBL1588969 0.83 LIPE (0.69) LIPE
SCHEMBL6027715 0.82 HTR3E (0.50) LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-05-28 US disclosed
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-05-28 US disclosed
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-05-28 US disclosed
US-20140005400-A1 NEW AZACYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2014-01-02 US disclosed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8552024-B2 Azacyclic compounds HOFFMAN-LA ROCHE INC. (US) 2013-10-08 US disclosed
US-8552024-B2 Azacyclic compounds HOFFMAN-LA ROCHE INC. (US) 2013-10-08 US disclosed
US-8552024-B2 Azacyclic compounds HOFFMAN-LA ROCHE INC. (US) 2013-10-08 US disclosed
EP-2603510-A1 NEW AZACYCLIC COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
WO-2012020035-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 US disclosed
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 US disclosed
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 US disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 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 (4 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-20140005400-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC LIPE 1/4885METAP2 3309/4885
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL LIPE 10/4885METAP2 2017/4885
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC LIPE 1/4885METAP2 3309/4885
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC LIPE 1/4885METAP2 3309/4885

“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.