SCHEMBL694786

SCHEMBL694786

CCOC(=O)C1CN(Cc2ccccc2)CCC1N

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 4/20 0.52
CCR8 P51685 1/20 0.52
KDM4E B2RXH2 5/20 0.51
LTA4H P09960 1/20 0.51
USP30 Q70CQ3 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL13434246 0.90 L3MBTL1 (0.56) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL15684096 0.89 USP30 (0.54) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL13400542 0.89 USP30 (0.54) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL1337120 0.88 SIGMAR1 (0.50) LTA4H
SCHEMBL28332659 0.88 SIGMAR1 (0.50) LTA4H
SCHEMBL3548161 0.86 L3MBTL1 (0.57) L3MBTL1ATMALDH1A1CCR8KDM4E
Hydrochloric Acid SCHEMBL31196825 0.86 MCHR1 (0.49) LTA4H
SCHEMBL21593413 0.86 L3MBTL1 (0.57) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL21593409 0.86 L3MBTL1 (0.57) L3MBTL1ATMALDH1A1CCR8KDM4E
SCHEMBL3551153 0.86 L3MBTL1 (0.57) L3MBTL1ATMALDH1A1CCR8KDM4E

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP disclosed
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-10221144-B2 Antibacterial compounds having broad spectrum of activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-03-05 US disclosed
US-10221144-B2 Antibacterial compounds having broad spectrum of activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-03-05 US disclosed
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
EP-3233827-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
WO-2016096686-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO disclosed
EP-1831165-A1 4-AMINOPIPERIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
WO-2006066747-A1 4-AMINOPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
US-20060135561-A1 4-Aminopiperidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-06-22 US disclosed
EP-1590327-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-02 EP disclosed
EP-1581511-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP disclosed
US-20050085518-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2005-04-21 US disclosed
US-20040224978-A1 CCR8 inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-11-11 US disclosed
US-20040209948-A1 CCR8 Inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-10-21 US disclosed
WO-2004058709-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed
WO-2004058736-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 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 (6 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-20050085518-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 L3MBTL1 4576/4885ATM 3872/4885ALDH1A1 1041/4885
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY MRPL21, ABCG2, CLPP L3MBTL1 3582/4885ATM 4366/4885ALDH1A1 3437/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP L3MBTL1 3582/4885ATM 4366/4885ALDH1A1 3437/4885
US-20040209948-A1 CCR8 Inhibitors CCR8, CCR1, CCR3 L3MBTL1 3460/4885ATM 3000/4885ALDH1A1 498/4885
US-20040224978-A1 CCR8 inhibitors CCR8, CCR1, CCRL2 L3MBTL1 3159/4885ATM 2323/4885ALDH1A1 491/4885
US-20060135561-A1 4-Aminopiperidine derivatives DPP4, GPR119, IAPP L3MBTL1 2133/4885ATM 3184/4885ALDH1A1 199/4885

“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.