SCHEMBL3168362

SCHEMBL3168362

CCCC(CC(OC=O)c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.34
POLB P06746 2/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSK P43235 6/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CCR5 P51681 1/20 0.31
GSR P00390 1/20 0.31
CTSH P09668 1/20 0.31

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
SCHEMBL4669959 0.85 AOC3 (0.39) AOC3POLBSLC6A4ALDH1A1LMNA
SCHEMBL9572581 0.79 POLB (0.42) POLBALDH1A1CTSKCTSLCTSB
SCHEMBL3168356 0.78 CYP1A2 (0.36) AOC3POLBSLC6A4LMNACYP1A2
SCHEMBL1827511 0.78 LMNA (0.42) POLBSLC6A4ALDH1A1LMNAMAPT
SCHEMBL13616887 0.78 LMNA (0.42) POLBSLC6A4ALDH1A1LMNAMAPT
SCHEMBL9572555 0.78 SLC7A5 (0.40) POLBALDH1A1LMNASMN1; SMN2CTSK
SCHEMBL28780408 0.76 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL27871705 0.76 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL27825246 0.76 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL28000933 0.76 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8603975-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2013-12-10 US disclosed
EP-2150269-B1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-11-21 EP disclosed
EP-2455098-A1 New cyclic peptide compounds Astellas Pharma Inc. (JP) 2012-05-23 EP disclosed
US-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-05-13 US disclosed
EP-2150269-A1 NEW CYCLIC PEPTIDE COMPOUNDS Astellas Pharma Inc. (JP) 2010-02-10 EP disclosed
WO-2008139986-A1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC., (JP) 2008-11-20 WO disclosed
US-7407961-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2008-08-05 US disclosed
US-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 US disclosed
EP-1737841-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF AS ADENOSINE ANTAGONISTS Astellas Pharma Inc. (JP) 2007-01-03 EP disclosed
EP-1678160-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF Astellas Pharma Inc. (JP) 2006-07-12 EP disclosed
WO-2005095384-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF AS ADENOSINE ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-10-13 WO disclosed
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-10-06 US disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 US disclosed
WO-2005040151-A1 PYRAZINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF ASTELLAS PHARMA INC. (JP) 2005-05-06 WO disclosed
US-20040110763-A1 Pyrazolopyridine compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
US-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 US disclosed
WO-2004022540-A2 PYRIDAZINONE AND PYRIDONE DERIVATIVES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-18 WO disclosed
WO-2003045950-A1 PYRAZOLOPYRIDINE DERIVTIVES AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
EP-1313733-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP disclosed
WO-2002018382-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-07 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 (5 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-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 AOC3 2239/4885POLB 2691/4885SLC6A4 374/4885
US-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS VIP, HAVCR2, ZC3HAV1 AOC3 4443/4885POLB 233/4885SLC6A4 4186/4885
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, HTR5A, ADORA1 AOC3 1082/4885POLB 2847/4885SLC6A4 337/4885
US-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 AOC3 1803/4885POLB 2406/4885SLC6A4 352/4885
US-20040110763-A1 Pyrazolopyridine compound and pharmaceutical use thereof ADRB1, ADRA1D, ADRB3 AOC3 478/4885POLB 2828/4885SLC6A4 249/4885

“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.