SCHEMBL2500184

SCHEMBL2500184

CC(C)(C)OC(=O)N1CCC2(CCc3cc(Cl)ccc32)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.47
USP30 Q70CQ3 1/20 0.46
ESR2 Q92731 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NR1H2 P55055 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
STS P08842 2/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
SCD5 Q86SK9 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
HDAC2 Q92769 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL2188367 0.93 MEN1 (0.47) HSD11B1USP30ESR2MEN1KMT2A
SCHEMBL31758626 0.93 MEN1 (0.47) HSD11B1USP30ESR2MEN1KMT2A
SCHEMBL2493775 0.92 HSD11B1 (0.48) HSD11B1USP30ESR2MEN1KMT2A
SCHEMBL4917653 0.85 MEN1 (0.48) HSD11B1USP30ESR2MEN1KMT2A
SCHEMBL327558 0.82 ESR2 (0.60) USP30ESR2MEN1KMT2ANR1H2
SCHEMBL30468415 0.82 ESR2 (0.67) USP30ESR2MEN1KMT2ANR1H2
SCHEMBL30468491 0.79 NR1H2 (0.68) USP30ESR2NR1H2HDAC1HDAC8
SCHEMBL25322292 0.79 ESR2 (0.44) USP30ESR2NR1H2HDAC1HDAC8
SCHEMBL327514 0.79 STS (0.48) ESR2MEN1KMT2ANR1H2STS
SCHEMBL29475527 0.79 ESR2 (0.44) USP30ESR2NR1H2HDAC1HDAC8

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-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
EP-2010523-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-01-07 EP disclosed
WO-2007125061-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-11-08 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-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS NR3C2, DRD3, TACR1 HSD11B1 211/4885USP30 3065/4885ESR2 674/4885

“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.