SCHEMBL933933

SCHEMBL933933

CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1COC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPT P10636 6/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCL1 Q07820 1/20 0.34

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
SCHEMBL30700623 0.85 ALDH1A1 (0.43) ALDH1A1MAPTADRB2ADRB1ADRB3
SCHEMBL16766115 0.85 ALDH1A1 (0.43) ALDH1A1MAPTADRB2ADRB1ADRB3
SCHEMBL14627093 0.84 ALDH1A1 (0.43) ALDH1A1MAPTADRB2ADRB1ADRB3
SCHEMBL935021 0.84 ALDH1A1 (0.43) ALDH1A1MAPTADRB2ADRB1ADRB3
SCHEMBL14626985 0.83 KCNJ1 (0.44) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL12519788 0.81 S1PR4 (0.39) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL934014 0.81 ALDH1A1 (0.41) ALDH1A1MAPTADRB2ADRB1ADRB3
SCHEMBL9142600 0.79 ABCB1 (0.48) ALDH1A1MAPTLMNAMCL1ABCB1
SCHEMBL7859579 0.79 ABCB1 (0.42) ALDH1A1MAPTLMNAMCL1ABCB1
SCHEMBL8107869 0.78 ABCB1 (0.44) ALDH1A1MAPTLMNAMCL1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454252-B1 Spiro amino compounds suitable for the treatment of (inter alia) sleep disorders and drug addiction Rottapharm Biotech Srl (IT) 2015-03-04 EP disclosed
US-8859608-B2 Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction ROTTAPHARM BIOTECH S.R.L. (IT) 2014-10-14 US disclosed
US-8859608-B2 Spiro amino compounds suitable for the treatment of inter alia sleep disorders and drug addiction ROTTAPHARM BIOTECH S.R.L. (IT) 2014-10-14 US disclosed
EP-2454252-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION Rottapharm S.p.A. (IT) 2012-05-23 EP disclosed
US-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM BIOTECH S.R.L. (IT) 2012-05-10 US disclosed
US-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM BIOTECH S.R.L. (IT) 2012-05-10 US disclosed
WO-2011006960-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM S.P.A. (IT) 2011-01-20 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-20120115882-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION SLC1A1, SLC6A3, SLC1A2 ALDH1A1 207/4885MAPT 3760/4885ADRB2 2098/4885

“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.