SCHEMBL2003376

SCHEMBL2003376

O=C(O)Cc1cc2cc(OCCCNCc3nc(Cl)ncc3F)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.37
SIRT1 Q96EB6 1/20 0.36
MTNR1A P48039 2/20 0.35
HRH4 Q9H3N8 3/20 0.35
PDE2A O00408 3/20 0.35
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
P2RY12 Q9H244 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL2004288 0.85 MTNR1A (0.40) DRD4MTNR1AHRH4HRH3GRIN1
SCHEMBL2006019 0.83 KLKB1 (0.37) DRD4PPARDKDM4EHDAC1HDAC2
SCHEMBL1998013 0.83 TRPV3 (0.42) DRD4PDE3BPDE3APPARDMAOB
SCHEMBL2006662 0.83 PPARA (0.43) DRD4MTNR1AHRH4PPARDMAOA
SCHEMBL2003374 0.82 KDM4E (0.46) MTNR1AHTR1AHTR1DHTR1BMTNR1B
SCHEMBL2003371 0.79 PPARD (0.42) SIRT1PDE2APDE3BPDE3AP2RY12
SCHEMBL2008027 0.78 PPARA (0.42) DRD4HRH4HRH3GRIN2DGRIN3B
SCHEMBL1999972 0.74 PPARA (0.43) DRD4HRH4HRH3GRIN2DGRIN3B
SCHEMBL2026488 0.71 PPARA (0.35) DRD4HRH4PDE3BPDE3APPARD
SCHEMBL2004368 0.70 APP (0.35) MTNR1AHRH4GRIN1GRIN2BPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 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 (2 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT DRD4 1008/4885SIRT1 271/4885MTNR1A 783/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT DRD4 1008/4885SIRT1 271/4885MTNR1A 783/4885

“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.