SCHEMBL2170909

SCHEMBL2170909

CCCNc1ccccc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
PDE5A O76074 2/20 0.38
SIGMAR1 Q99720 5/20 0.37
SLC2A1 P11166 1/20 0.36
GCGR P47871 1/20 0.35
MAPK1 P28482 1/20 0.35
APP P05067 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
EPHX1 P07099 1/20 0.34
TLR8 Q9NR97 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
SCHEMBL27602957 0.88 TLR8 (0.46) MAPTHTTKDM6BKDM4CTLR8
SCHEMBL11512622 0.84 IDO1 (0.55) IDO1MAPTHTTPDE5ASIGMAR1
SCHEMBL3661218 0.82 IDO1 (0.44) IDO1MAPTHTTSIGMAR1GRIN2D
SCHEMBL5505417 0.78 KDM4E (0.49) MAPTHTTSIGMAR1MAPK1GRIN2D
SCHEMBL8518737 0.78 CA12 (0.55) IDO1MAPTHTTSIGMAR1KDM4C
SCHEMBL24711106 0.78 CYP2C19 (0.47) MAPTHTTSLC2A1ALDH1A1GAA
SCHEMBL16432442 0.76 KDM4E (0.37) IDO1MAPTPDE5AAPPALDH1A1
SCHEMBL13477752 0.76 IDO1 (0.48) IDO1MAPTHTTPDE5ASIGMAR1
SCHEMBL1485722 0.76 MAPT (0.78) IDO1MAPTHTTSLC2A1ALDH1A1
SCHEMBL7333052 0.75 TAAR1 (0.50) IDO1MAPTHTTSIGMAR1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008052088-A1 CHROMANE DERIVATIVES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO WYETH (US) 2008-05-02 WO claimed
CN-105392777-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2020-09-22 CN disclosed
EP-3013796-B9 BIARYL DERIVATIVES AS GPR120 AGONISTS LG CHEMICAL LTD (KR) 2020-07-01 EP disclosed
EP-3628661-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG CHEM, LTD. (KR) 2020-04-01 EP disclosed
US-10221138-B2 Biaryl derivatives as GPR120 agonists LG CHEM, LTD. (KR) 2019-03-05 US disclosed
CN-103917538-B 2-(1,2,3-triazole-2-base) Benzoylamide and 3-(1,2,3-triazole-2-base) picolinamide derivatives 埃科特莱茵药品有限公司 2016-08-24 CN disclosed
US-20160168096-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2016-06-16 US disclosed
EP-3013796-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG Life Sciences Ltd. (KR) 2016-05-04 EP disclosed
WO-2014209034-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2014-12-31 WO disclosed
EP-2346848-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
WO-2010054968-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
WO-2008052088-A1 CHROMANE DERIVATIVES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO WYETH (US) 2008-05-02 WO disclosed
EP-1874756-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF Wyeth (US) 2008-01-09 EP disclosed
WO-2006116165-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 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 (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-20160168096-A1 BIARYL DERIVATIVES AS GPR120 AGONISTS GPR119, GLP1R, GIPR IDO1 502/4885MAPT 4604/4885HTT 4649/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 IDO1 2265/4885MAPT 4575/4885HTT 2944/4885
US-10221138-B2 Biaryl derivatives as GPR120 agonists GPR119, GLP1R, GIPR IDO1 502/4885MAPT 4604/4885HTT 4649/4885

“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.