SCHEMBL731043

SCHEMBL731043

[c]1cc(OC2CC2)nc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
KCNH2 Q12809 3/20 0.48
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 2/20 0.36
ATM Q13315 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 2/20 0.35
HRH1 P35367 2/20 0.35
FFAR4 Q5NUL3 4/20 0.34
SYK P43405 1/20 0.34
DGAT1 O75907 1/20 0.33
MAPK1 P28482 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL731832 0.84 SLC6A2 (0.41) SLC6A2SLC6A4KCNH2MEN1KMT2A
SCHEMBL732707 0.75 MEN1 (0.53) MEN1KMT2ATSHRATMMAPT
SCHEMBL731199 0.75 NPC1 (0.54) MEN1KMT2ATSHRATMMAPT
SCHEMBL732666 0.74 MAPK1 (0.54) MEN1KMT2ATSHRATMMAPT
SCHEMBL732423 0.73 MEN1 (0.62) MEN1KMT2ATSHRATMMAPT
SCHEMBL731107 0.71 MEN1 (0.37) MEN1KMT2ATSHRATMMAPT
SCHEMBL28980481 0.67 SLC6A2 (0.51) SLC6A2SLC6A4KCNH2FFAR4
SCHEMBL18616058 0.67 CHRNA7 (0.41) SLC6A2SLC6A4KCNH2RAB9AUSP2
SCHEMBL1029618 0.65 SLC6A4 (1.00) SLC6A2SLC6A4KCNH2
SCHEMBL732652 0.65 MEN1 (0.48) MEN1KMT2ATSHRATMMAPT

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 SLC6A2 4584/4885SLC6A4 4521/4885KCNH2 388/4885

“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.