SCHEMBL1708075

SCHEMBL1708075

COC(=O)c1cccc(-n2c(C3CC3)nc3ccccc32)c1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
CNR2 P34972 6/20 0.43
CNR1 P21554 2/20 0.43
MYC P01106 1/20 0.43
BMI1 P35226 1/20 0.42
SLC22A12 Q96S37 1/20 0.40
PDE10A Q9Y233 1/20 0.40
SCN9A Q15858 1/20 0.40
HTR2B P41595 1/20 0.39

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
SCHEMBL1707968 0.81 TSHR (0.47) TSHRALDH1A1POLBRAB9ACNR2
SCHEMBL1708020 0.80 L3MBTL1 (0.52) TSHRALDH1A1POLBRAB9AMYC
SCHEMBL1707974 0.79 MAPK1 (0.47) TSHRALDH1A1POLBRAB9ACNR2
SCHEMBL1707881 0.79 TSHR (0.46) TSHRALDH1A1POLBRAB9AMYC
SCHEMBL1708039 0.78 TSHR (0.45) TSHRALDH1A1POLBRAB9AMYC
SCHEMBL1707966 0.77 ALDH1A1 (0.44) TSHRALDH1A1POLBRAB9ACNR2
SCHEMBL1707973 0.77 ALDH1A1 (0.40) TSHRALDH1A1CNR2CNR1BMI1
SCHEMBL1708248 0.73 ALDH1A1 (0.39) ALDH1A1POLBRAB9A
SCHEMBL1708092 0.73 ALDH1A1 (0.39) TSHRALDH1A1POLBRAB9A
SCHEMBL1708016 0.72 TSHR (0.57) TSHRALDH1A1POLBMYCSLC22A12

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 3 patents. 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
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 WO 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 TSHR 637/4885ALDH1A1 3930/4885POLB 4829/4885

“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.