SCHEMBL717325

SCHEMBL717325

CC(C)Oc1nn(-c2ccc(OC(F)(F)F)cc2)cc1C(O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.38
GIPR P48546 1/20 0.38
EPHX2 P34913 4/20 0.35
EPHX1 P07099 1/20 0.35
LIPE Q05469 2/20 0.35
CHRM4 P08173 1/20 0.35
RXRA P19793 3/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
CASR P41180 2/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
CRHR1 P34998 1/20 0.33
GALR2 O43603 1/20 0.33
GALR1 P47211 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL718140 0.91 GCGR (0.38) GCGRGIPREPHX2EPHX1LIPE
SCHEMBL27852519 0.86 GCGR (0.37) GCGRGIPREPHX2EPHX1LIPE
SCHEMBL717859 0.86 GCGR (0.39) GCGRGIPREPHX2EPHX1LIPE
SCHEMBL717658 0.82 GCGR (0.40) GCGRGIPRCHRM4RXRAGRIN1
SCHEMBL716753 0.82 GCGR (0.38) GCGRGIPREPHX2EPHX1CHRM4
SCHEMBL27852545 0.76 GCGR (0.59) GCGRGIPR
SCHEMBL718974 0.74 GCGR (0.57) GCGRGIPR
SCHEMBL722928 0.74 GCGR (0.43) GCGRGIPRCHRM4KDM4EALDH1A1
SCHEMBL718340 0.73 IDO1 (0.41) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL720503 0.72 IDO1 (0.42) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3

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 41/4885EPHX2 1372/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCGR 90/4885GIPR 41/4885EPHX2 1372/4885

“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.