SCHEMBL3549645

SCHEMBL3549645

O=CCCCc1nccc(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.37
PKM P14618 2/20 0.36
MBOAT4 Q96T53 1/20 0.36
OGA O60502 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
LOX P28300 1/20 0.32
SYK P43405 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2A P28223 2/20 0.32
HTR2B P41595 2/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
ACVR1 Q04771 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 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
SCHEMBL7709495 0.90 ADRB1 (0.39) ADRB1PKMMBOAT4OGATAS2R14
SCHEMBL3543485 0.84 MBOAT4 (0.36) ADRB1PKMMBOAT4OGATAS2R14
SCHEMBL27573575 0.79 MBOAT4 (0.40) ADRB1PKMMBOAT4OGALOXL2
SCHEMBL3925099 0.77 SYK (0.45) PKMMBOAT4TAS2R14SYK
SCHEMBL21503712 0.76 KCNH2 (0.40) ADRB1PKMMBOAT4TNKSPARP1
SCHEMBL5803365 0.76 KCNH2 (0.40) ADRB1PKMMBOAT4TNKSPARP1
SCHEMBL3547786 0.76 HIF1A (0.34)
SCHEMBL18647595 0.75 MBOAT4 (0.42) ADRB1PKMMBOAT4OGALOXL2
SCHEMBL5883492 0.72 FGFR1 (0.35) LOXL2TNKSPARP1TNKS2LOX
SCHEMBL4087934 0.72 NAAA (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745458-B2 Azabicyclo (3, 1, 0) hexan derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745458-B2 Azabicyclo (3, 1, 0) hexan derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745458-B2 Azabicyclo (3, 1, 0) hexan derivatives useful as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
US-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
US-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
EP-1926723-B1 AZABICYCLO (3,1,0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RCEPTORS GLAXO GROUP LTD (GB) 2009-05-13 EP disclosed
EP-1926723-B1 AZABICYCLO (3,1,0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RCEPTORS GLAXO GROUP LTD (GB) 2009-05-13 EP disclosed
EP-1926723-A2 AZABICYCLO (3,1,0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RCEPTORS GLAXO GROUP LIMITED (GB) 2008-06-04 EP disclosed
WO-2007022934-A2 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-03-01 WO disclosed
US-20060287338-A1 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-12-21 US disclosed
US-7122551-B2 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-10-17 US disclosed
CN-1247547-C Piperidine and piperazine substituted N-hydroxyformamides as inhibitors of metalloproteinases ASTRAZENECA AB (SE) 2006-03-29 CN disclosed
US-20040176386-A1 Compounds ASTRAZENECA AB (SE) 2004-09-09 US disclosed
US-6734183-B2 USEFUL AS METALLOPROTEINASE INHIBITOR; PIPERAZINO-SULFONAMIDE OR PIPERIDINO-SULFONAMIDE COMPOUND ASTRAZENECA AB (SE) 2004-05-11 US disclosed
CN-1418197-A Piperidine and piperazine substituted N-hydroxycarboxamides as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2003-05-14 CN disclosed
EP-1261590-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020022628-A1 Compounds ASTRAZENECA AB (SE) 2002-02-21 US disclosed
WO-2001062742-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES ASTRAZENECA AB (SE) 2001-08-30 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 (4 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-20020022628-A1 Compounds MMP13, MMP11, MMP3 ADRB1 3310/4885PKM 2433/4885MBOAT4 3149/4885
US-20060287338-A1 Metalloproteinase inhibitor compounds TIMP3, MMP2, MMP13 ADRB1 4641/4885PKM 2899/4885MBOAT4 2732/4885
US-20040176386-A1 Compounds MMP13, MMP11, MMP3 ADRB1 3310/4885PKM 2433/4885MBOAT4 3149/4885
US-20090221618-A1 AZABICYCLO (3, 1, 0) HEXAN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HTR5A, CHRNA5, DRD3 ADRB1 74/4885PKM 3290/4885MBOAT4 2787/4885

“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.