SCHEMBL10291390

SCHEMBL10291390

Cc1oc2cccnc2c1-c1cccc(CNc2ccc3c(c2)OC[C@H]3CC=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.38
PPARG P37231 2/20 0.31
PPARA Q07869 1/20 0.31
P2RX7 Q99572 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CD274 Q9NZQ7 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDCD1 Q15116 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL3721709 0.91 FFAR1 (0.46) FFAR1PPARGPPARAPPARD
SCHEMBL13046194 0.89 FFAR1 (0.42) FFAR1PPARGPPARACD274PDCD1
SCHEMBL3717530 0.83 FFAR1 (0.35) FFAR1P2RX7PDE1APDE1BPDE1C
SCHEMBL1708219 0.80 FFAR1 (0.46) FFAR1PPARGPPARAPPARD
SCHEMBL10291553 0.79 FFAR1 (0.37) FFAR1P2RX7KDM4EALDH1A1MAPT
SCHEMBL13046592 0.78 FFAR1 (0.40) FFAR1PPARGPPARAP2RX7CD274
SCHEMBL10291540 0.76 CD274 (0.41) FFAR1CD274PDCD1PPARD
SCHEMBL1708201 0.75 PDCD1 (0.33) HDAC6CD274KDM4EALDH1A1MAPT
SCHEMBL1708220 0.72 INSR (0.35) FFAR1P2RX7CD274KDM4EALDH1A1
SCHEMBL10291341 0.72 FFAR1 (0.40) FFAR1PPARGCD274KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 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 (1 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R FFAR1 20/4885PPARG 155/4885PPARA 236/4885

“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.