SCHEMBL733180

SCHEMBL733180

[c]1cc2c(C3CC3)nn(-c3ccccn3)c2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.35
KHK P50053 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 1/20 0.32
KIT P10721 2/20 0.32
FLT3 P36888 2/20 0.32
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
LYN P07948 1/20 0.31
MET P08581 1/20 0.31
PDGFRB P09619 1/20 0.31

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
SCHEMBL731528 0.79 MAPT (0.44) ALDH1A1MAPTTHRBSMN1; SMN2TDP1
SCHEMBL731118 0.76 L3MBTL1 (0.45) ALDH1A1MAPTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL732917 0.75 FFAR4 (0.42) KHKALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL732823 0.73 MAPT (0.34) ALDH1A1MAPTSMN1; SMN2RAB9AKIT
SCHEMBL730881 0.72 ALDH1A1 (0.46) KHKALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL10565496 0.67 FLT3 (0.47) KHKALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL6163605 0.63 ALDH1A1 (0.51) GRM7ALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL730513 0.63 ADORA1 (0.34) MAPTTDP1RAB9AL3MBTL1CCNA2
SCHEMBL6166612 0.62 CCNA2 (0.47) GRM7ALDH1A1MAPTTHRBSMN1; SMN2
SCHEMBL6162155 0.61 OPRM1 (0.57) ALDH1A1MAPTTHRBSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 GRM7 3204/4885KHK 1126/4885ALDH1A1 113/4885

“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.