SCHEMBL1756728

SCHEMBL1756728

O=C(O)CC1(NC(=O)c2ccccc2)CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.51
ADRB2 P07550 1/20 0.47
ADAMTS4 O75173 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
ADAM17 P78536 1/20 0.46
ADAMTS1 Q9UHI8 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CNR2 P34972 1/20 0.42
FAAH O00519 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CTSL P07711 1/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1186102 0.86 ADRB2 (0.57) ADRB2ADAM17ALDH1A1CNR2FAAH
SCHEMBL1757278 0.84 ADRB2 (0.63) ADRB2ADAM17ALDH1A1FAAHL3MBTL1
SCHEMBL21198730 0.78 ALDH1A1 (0.51) CCR1ALDH1A1FAAHL3MBTL1HDAC1
SCHEMBL7416152 0.77 MMP3 (0.50) CCR1ADAMTS4MMP3MMP7ADAM17
SCHEMBL1187444 0.74 ADRB2 (0.55) ADRB2ADAM17ALDH1A1CNR2FAAH
SCHEMBL29642581 0.73 CTSL (0.60) CNR2CTSLCTSK
SCHEMBL18314645 0.72 ADRB2 (0.52) ADRB2ALDH1A1FAAHL3MBTL1HDAC1
SCHEMBL5586066 0.71 ALDH1A1 (0.45) CCR1ADAMTS4MMP3MMP7ADAM17
SCHEMBL10607221 0.70 ADRB2 (0.57) ADRB2ALDH1A1FAAHL3MBTL1HDAC1
SCHEMBL25327736 0.70 ALDH1A1 (0.60) ALDH1A1L3MBTL1SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973163-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2011-07-05 US disclosed
US-7973163-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2011-07-05 US disclosed
US-7943770-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
US-7943770-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
US-7943770-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
EP-1740584-B9 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2010-06-09 EP disclosed
US-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 US disclosed
US-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 US disclosed
US-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 US disclosed
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-10-29 US disclosed
US-7592453-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-22 US disclosed
US-7592453-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-22 US disclosed
US-7592453-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-22 US disclosed
EP-2080760-A1 Fused quinoline derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP disclosed
EP-1740584-B1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2008-12-03 EP disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US disclosed
EP-1740584-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 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 (3 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-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 CCR1 1064/4885ADRB2 41/4885ADAMTS4 4794/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 CCR1 1115/4885ADRB2 42/4885ADAMTS4 4787/4885
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 CCR1 1164/4885ADRB2 38/4885ADAMTS4 4796/4885

“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.