SCHEMBL276030

SCHEMBL276030

O=Cc1cc(F)ccc1C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.48
PTGDR Q13258 1/20 0.41
OPRL1 P41146 4/20 0.40
KCNH2 Q12809 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CEL P19835 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
DHODH Q02127 1/20 0.36
ADCY1 Q08828 1/20 0.36

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
SCHEMBL24117075 0.91 PTGDR2 (0.38) PTGDR2OPRL1ALDH1A1NOS3NOS1
SCHEMBL27848652 0.82 PTGDR2 (0.43) PTGDR2PTGDROPRL1KMT2AALDH1A1
SCHEMBL22820404 0.79 ERN1 (0.46) PTGDR2PTGDRMEN1KMT2ACEL
SCHEMBL19696070 0.79 ERN1 (0.46) PTGDR2PTGDROPRL1GAACEL
SCHEMBL2308314 0.77 PTGDR2 (0.38) PTGDR2OPRL1ALDH1A1NOS3NOS1
SCHEMBL268584 0.76 PTGS2 (0.41) PTGDR2OPRL1MEN1KMT2ACEL
SCHEMBL435254 0.76 OPRL1 (0.59) PTGDR2PTGDROPRL1NPC1RAB9A
SCHEMBL22284134 0.74 MEN1 (0.46) PTGDR2NPC1RAB9APOLBMEN1
SCHEMBL11675315 0.74 MEN1 (0.46) PTGDR2NPC1RAB9APOLBMEN1
SCHEMBL21647623 0.74 MEN1 (0.46) PTGDR2NPC1RAB9APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
EP-2229396-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
CN-101896486-A Spiroindolinone derivatives HOFFMANN LA ROCHE 2010-11-24 CN disclosed
EP-2229396-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP disclosed
WO-2009077357-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 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-20090156610-A1 Spiroindolinone Derivatives SDHA, AR, XPOT PTGDR2 996/4885PTGDR 437/4885OPRL1 3837/4885

“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.