SCHEMBL1708092

SCHEMBL1708092

COC(=O)c1cccc(-n2c([C@H]3CCCO3)nc3cc(F)ccc32)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
CFTR P13569 1/20 0.39
DHFR P00374 1/20 0.39
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
APLNR P35414 3/20 0.36
HCRTR1 O43613 1/20 0.36
TBXA2R P21731 1/20 0.36
MAPK1 P28482 3/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE1C Q14123 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1708248 0.90 ALDH1A1 (0.39) ALDH1A1POLBRAB9ACFTRDHFR
SCHEMBL1707983 0.89 CFTR (0.41) ALDH1A1POLBRAB9ACFTRDHFR
SCHEMBL1708130 0.88 CYP2D6 (0.42) ALDH1A1POLBRAB9ACFTRDHFR
SCHEMBL1708114 0.82 DHFR (0.41) ALDH1A1RAB9ADHFRTSHRSMN1; SMN2
SCHEMBL10291238 0.75 FFAR1 (0.35) APLNR
SCHEMBL1708075 0.73 TSHR (0.45) ALDH1A1POLBRAB9ATSHR
SCHEMBL10292326 0.73 FFAR1 (0.39)
SCHEMBL1707985 0.72 CYP2D6 (0.38) DHFR
SCHEMBL3791360 0.72 DHFR (0.34) RAB9ADHFRAPLNRPDE1CPDE1B
SCHEMBL1708045 0.72 ALDH1A1 (0.51) ALDH1A1POLBRAB9ATSHRHPGD

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 ALDH1A1 3930/4885POLB 4829/4885RAB9A 2224/4885

“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.