SCHEMBL3927554

SCHEMBL3927554

O=C1CCC(Cc2ccccc2)(N2CCOCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
LMNA P02545 3/20 0.39
FKBP1A P62942 1/20 0.39
POLB P06746 3/20 0.39
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NR3C1 P04150 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.38
OPRM1 P35372 2/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HCN4 Q9Y3Q4 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
SCHEMBL3216979 0.86 MEN1 (0.41) POLBSIGMAR1NR3C1MEN1KMT2A
SCHEMBL735929 0.82 KMT2A (0.43) SIGMAR1MEN1KMT2ACYP2C9OPRM1
SCHEMBL3924844 0.79 POLB (0.39) THRBLMNAFKBP1APOLBSIGMAR1
SCHEMBL4118768 0.78 TSHR (0.38) THRBLMNAFKBP1APOLBSIGMAR1
SCHEMBL4112299 0.76 TSHR (0.39) LMNAFKBP1APOLBSIGMAR1MEN1
SCHEMBL734607 0.74 SIGMAR1 (0.49) LMNASIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL13333707 0.73 OPRM1 (0.41) THRBLMNAFKBP1APOLBSIGMAR1
SCHEMBL3409681 0.72 SLC6A3 (0.41) SIGMAR1MEN1KMT2ACYP2C9SMN1; SMN2
Bromide SCHEMBL10842432 0.71 MAOA (0.44) SIGMAR1MEN1KMT2AOPRM1KCNH2
SCHEMBL372916 0.70 MEN1 (0.50) LMNAPOLBNR3C1MEN1KMT2A

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 THRB 3339/4885LMNA 2504/4885FKBP1A 82/4885

“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.