SCHEMBL2026487

SCHEMBL2026487

CC(C(=O)O)c1c[nH]c2ccc(OCCCNCc3nc(-c4ccc(F)cc4)ncc3F)cc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.36
SLC6A4 P31645 1/20 0.36
MTNR1A P48039 7/20 0.36
MTNR1B P49286 7/20 0.36
HTR1D P28221 3/20 0.35
HTR1B P28222 3/20 0.35
HTR2A P28223 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
DPP4 P27487 1/20 0.34
WNT1 P04628 1/20 0.34

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
SCHEMBL2004366 0.95 MTNR1A (0.39) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL2004819 0.93 PPARD (0.40) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL2004872 0.88 CYP1A2 (0.39) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL2026488 0.84 PPARA (0.35) PPARDPPARAKDM4ETRPV3WNT1
SCHEMBL2004833 0.84 CYP1A2 (0.43) MTNR1AMTNR1BHTR2AKDM4EMAPT
SCHEMBL4229896 0.82 PPARD (0.39) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL2004284 0.81 KDM4E (0.51) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL2006659 0.79 PPARD (0.47) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL2004368 0.79 APP (0.35) MTNR1APPARDPPARAKDM4EMAPT
SCHEMBL2008026 0.79 PPARD (0.46) HTR1ASLC6A4MTNR1AMTNR1BHTR1D

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 4 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-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 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 HTR1A 267/4885SLC6A4 486/4885MTNR1A 783/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT HTR1A 267/4885SLC6A4 486/4885MTNR1A 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.