SCHEMBL716753

SCHEMBL716753

COCc1nn(-c2ccc(OC(F)(F)F)cc2)cc1C(O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.38
GIPR P48546 2/20 0.38
RXRA P19793 7/20 0.38
GRIN1 Q05586 7/20 0.38
GRIN2B Q13224 7/20 0.38
CHRM4 P08173 1/20 0.37
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
PDE2A O00408 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GALR2 O43603 1/20 0.34
GALR1 P47211 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32

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
SCHEMBL716549 0.89 RAB9A (0.40) IDO1TDO2EPHX2KDM4EALDH1A1
SCHEMBL718140 0.85 GCGR (0.38) GCGRGIPRRXRAGRIN1GRIN2B
SCHEMBL717859 0.84 GCGR (0.39) GCGRGIPRRXRAGRIN1GRIN2B
SCHEMBL717837 0.84 RAB9A (0.39) IDO1TDO2KDM4EALDH1A1
SCHEMBL717325 0.82 GCGR (0.38) GCGRGIPRRXRAGRIN1GRIN2B
SCHEMBL719334 0.81 BCHE (0.40) RXRAGRIN1GRIN2BIDO1TDO2
SCHEMBL27852519 0.80 GCGR (0.37) GCGRGIPRRXRAGRIN1GRIN2B
SCHEMBL717658 0.79 GCGR (0.40) GCGRGIPRRXRAGRIN1GRIN2B
SCHEMBL721464 0.79 KDM4E (0.42) IDO1TDO2EPHX2KDM4EALDH1A1
SCHEMBL718337 0.77 DRD3 (0.36) IDO1TDO2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCGR 90/4885GIPR 41/4885RXRA 596/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCGR 90/4885GIPR 41/4885RXRA 596/4885

“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.