SCHEMBL717249

SCHEMBL717249

Cc1cc(F)ccc1-n1cc(C(O)C2CCCCC2)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.36
RXRA P19793 4/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2B Q13224 4/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
IDO1 P14902 5/20 0.35
TDO2 P48775 3/20 0.35
CNR1 P21554 5/20 0.35
CNR2 P34972 5/20 0.35
EPHX2 P34913 1/20 0.35
KMT2A Q03164 1/20 0.34
HTR7 P34969 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
SCHEMBL720156 0.81 IDO1 (0.38) IDO1TDO2KMT2A
SCHEMBL718900 0.77 ALDH1A1 (0.37) IDO1KMT2A
SCHEMBL716068 0.76 IDO1 (0.41) IDO1TDO2CNR1KMT2A
SCHEMBL720433 0.75 P2RX7 (0.41) IDO1TDO2KMT2A
SCHEMBL717876 0.74 IDO1 (0.38) SLC6A4IDO1TDO2KMT2A
SCHEMBL716678 0.73 IDO1 (0.40) IDO1TDO2CNR1CNR2
SCHEMBL717320 0.73 PDE2A (0.41) IDO1TDO2KMT2A
SCHEMBL718429 0.72 PKM (0.41) IDO1TDO2KMT2A
SCHEMBL720503 0.71 IDO1 (0.42) SLC6A4IDO1TDO2CNR1CNR2
SCHEMBL719329 0.71 GCG (0.41) HTR7

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-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
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 HDAC9 264/4885RXRA 596/4885GRIN1 4391/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP HDAC9 264/4885RXRA 596/4885GRIN1 4391/4885

“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.