SCHEMBL743526

SCHEMBL743526

CCc1ccc(N2CCC3(CCNCC3)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 7/20 0.55
RORC P51449 1/20 0.47
LIPE Q05469 7/20 0.46
HRH3 Q9Y5N1 1/20 0.43
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
MGLL Q99685 1/20 0.38

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
SCHEMBL12176 0.85 EGLN1 (0.57) EGLN1LIPEITGB3ITGA2BMGLL
SCHEMBL6025250 0.84 ADRB1 (0.46) EGLN1RORCLIPEHRH3ITGB3
SCHEMBL1946683 0.82 LIPE (0.47) EGLN1RORCLIPEHRH3
SCHEMBL5592 0.82 EGLN1 (0.54) EGLN1LIPEITGB3ITGA2BMGLL
SCHEMBL9870 0.82 EGLN1 (0.54) EGLN1LIPEHRH3
SCHEMBL9871 0.82 EGLN1 (0.54) EGLN1LIPEHRH3
SCHEMBL1589368 0.82 EGLN1 (0.54) EGLN1LIPEHRH3
SCHEMBL22396051 0.81 HRH3 (0.43) EGLN1RORCLIPEHRH3ITGB3
SCHEMBL12342523 0.81 HRH3 (0.45) EGLN1RORCLIPEHRH3ITGB3
SCHEMBL25676822 0.81 EGLN1 (0.52) EGLN1LIPEHRH3MGLL

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
EP-2507239-B1 AZACYCLIC SPIRO DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-03-13 EP disclosed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8389539-B2 Azacyclic derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389539-B2 Azacyclic derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389539-B2 Azacyclic derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
EP-2507239-A1 AZACYCLIC SPIRO DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
WO-2011067166-A1 AZACYCLIC SPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 US disclosed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 US disclosed
US-20110130417-A1 NEW AZACYCLIC DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-02 US disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO 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 (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-20110130417-A1 NEW AZACYCLIC DERIVATIVES AZI2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A1 EGLN1 3132/4885RORC 410/4885LIPE 4817/4885
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL EGLN1 2307/4885RORC 1454/4885LIPE 10/4885

“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.