SCHEMBL3924844

SCHEMBL3924844

c1ccc(CC2(N3CCOCC3)CCC3(CC2)OCCO3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
SIGMAR1 Q99720 3/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
RAB9A P51151 1/20 0.37
CASP7 P55210 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
FKBP1A P62942 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
GAA P10253 1/20 0.36
ADORA2A P29274 1/20 0.35
THRB P10828 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
SCHEMBL3218429 0.90 POLB (0.40) POLBSIGMAR1MEN1KMT2ANPC1
SCHEMBL734090 0.86 KMT2A (0.41) POLBSIGMAR1MEN1KMT2ANPC1
SCHEMBL3927554 0.79 THRB (0.40) POLBSIGMAR1MEN1KMT2ARAB9A
SCHEMBL4118768 0.78 TSHR (0.38) POLBSIGMAR1MEN1KMT2ASMN1; SMN2
SCHEMBL4112299 0.76 TSHR (0.39) POLBSIGMAR1MEN1KMT2ASMN1; SMN2
SCHEMBL13333707 0.76 OPRM1 (0.41) POLBSIGMAR1MEN1KMT2ASMN1; SMN2
SCHEMBL3941642 0.74 SIGMAR1 (0.49) POLBSIGMAR1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL735216 0.73 OPRM1 (0.50) POLBSIGMAR1MEN1KMT2ANPC1
SCHEMBL4826740 0.71 OPRL1 (0.51) POLBMEN1KMT2ANPC1MAPK1
SCHEMBL12346167 0.71 MAOA (0.41) POLBSIGMAR1MEN1KMT2ANPC1

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-2041142-B1 SPIROCYCLIC AZAINDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-10-09 EP disclosed
US-8399503-B2 Spirocyclic azaindole derivatives GRUENENTHAL GMBH (DE) 2013-03-19 US disclosed
US-20090156593-A1 Spirocyclic Azaindole Derivatives GRUNENTHAL GMBH (DE) 2009-06-18 US disclosed
EP-2041142-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-04-01 EP disclosed
WO-2008009416-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2008-01-24 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-20090156593-A1 Spirocyclic Azaindole Derivatives AZI2, TPMT, AADAC POLB 4256/4885SIGMAR1 1174/4885MEN1 782/4885

“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.