SCHEMBL3654006

SCHEMBL3654006

CCOC(=O)C1CN(Cc2ccccc2)CCN1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 5/20 0.48
SIGMAR1 Q99720 2/20 0.47
CCR8 P51685 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
AGTR2 P50052 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL5391121 0.92 L3MBTL1 (0.51) L3MBTL1ATMALDH1A1KDM4ETDP1
SCHEMBL29450257 0.91 MMP1 (0.54) L3MBTL1ATMALDH1A1KDM4ESIGMAR1
SCHEMBL18586177 0.91 MMP1 (0.54) L3MBTL1ATMALDH1A1KDM4ESIGMAR1
SCHEMBL1586425 0.90 L3MBTL1 (0.49) L3MBTL1ATMALDH1A1KDM4ETDP1
SCHEMBL5408519 0.89 ALDH1A1 (0.53) L3MBTL1ATMALDH1A1KDM4ESIGMAR1
SCHEMBL9593679 0.88 MMP1 (0.48) L3MBTL1ATMALDH1A1KDM4ESIGMAR1
SCHEMBL3651942 0.87 L3MBTL1 (0.53) L3MBTL1ATMALDH1A1KDM4ESIGMAR1
SCHEMBL9581725 0.85 L3MBTL1 (0.55) L3MBTL1ATMALDH1A1KDM4ESIGMAR1
SCHEMBL124103 0.85 L3MBTL1 (0.55) L3MBTL1ATMALDH1A1KDM4ESIGMAR1
SCHEMBL5385557 0.84 L3MBTL1 (0.50) L3MBTL1ATMALDH1A1KDM4ESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188266-B1 Novel piperazine amide derivatives HOFFMANN LA ROCHE (CH) 2012-10-17 EP disclosed
US-8288541-B2 Piperazine amide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
EP-2188266-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-26 EP disclosed
WO-2009021868-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-02-19 WO disclosed
US-20090048264-A1 PIPERAZINE AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-02-19 US disclosed
EP-0703908-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1996-04-03 EP disclosed
US-5461047-A Analgesics and treats prostaglandin-E2 mediated diseases in animals G. D. SEARLE & CO. (US) 1995-10-24 US disclosed
WO-1994029286-A1 ANALGESIC DIBENZOXAZEPINES AND DIBENZOTHIAZEPINES G.D. SEARLE & CO. (US) 1994-12-22 WO disclosed
WO-1994027981-A1 SQUARIC ACID DERIVATIVES OF DIBENZOXAZEPINS OR DIBENZOTHIAZEPINES USEFUL AS ANALGESICS G.D. SEARLE & CO. (US) 1994-12-08 WO disclosed
US-5354747-A Analgesics G. D. SEARLE & CO. (US) 1994-10-11 US disclosed
US-5354746-A Prostaglandin inhibitor, analgesics G. D. SEARLE & CO. (US) 1994-10-11 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 (1 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-20090048264-A1 PIPERAZINE AMIDE DERIVATIVES NR1H2, NR1H3, NR1I2 L3MBTL1 3543/4885ATM 3180/4885ALDH1A1 1880/4885

“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.