SCHEMBL747761

SCHEMBL747761

O=C1N(c2ccc(C3CC3)cc2)CCC12CCNCC2

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.59
EGLN1 Q9GZT9 1/20 0.47
EBP Q15125 1/20 0.40
LIPE Q05469 1/20 0.38
PARP1 P09874 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
SCHEMBL12303 0.85 HRH3 (0.62) HRH3EGLN1EBPLIPE
SCHEMBL10308 0.84 HRH3 (0.66) HRH3EGLN1EBPLIPE
SCHEMBL9671 0.84 HRH3 (0.60) HRH3EGLN1EBP
SCHEMBL1589768 0.84 HRH3 (0.66) HRH3EGLN1EBPLIPE
SCHEMBL6137 0.84 HRH3 (0.66) HRH3EGLN1EBPLIPE
SCHEMBL5842 0.82 HRH3 (0.58) HRH3EGLN1EBP
SCHEMBL22396051 0.81 HRH3 (0.43) HRH3EGLN1EBPLIPE
SCHEMBL12342523 0.81 HRH3 (0.45) HRH3EGLN1EBPLIPE
SCHEMBL6025250 0.81 ADRB1 (0.46) HRH3EGLN1LIPE
SCHEMBL5536 0.81 HRH3 (0.63) HRH3EGLN1EBPLIPE

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 16 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-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
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
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
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 HRH3 757/4885EGLN1 3132/4885EBP 349/4885
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL HRH3 3708/4885EGLN1 2307/4885EBP 12/4885

“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.