SCHEMBL934014

SCHEMBL934014

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MCL1 Q07820 9/20 0.38
POLB P06746 1/20 0.36
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
BCL2 P10415 4/20 0.36
BCL2L1 Q07817 1/20 0.36
CES1 P23141 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
UCHL1 P09936 1/20 0.35
PDE5A O76074 1/20 0.34
BECN1 Q14457 2/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
PHGDH O43175 1/20 0.33

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
SCHEMBL2686168 0.83 POLB (0.46) ALDH1A1LMNAMAPTMCL1POLB
SCHEMBL933933 0.81 ALDH1A1 (0.40) ALDH1A1LMNAMAPTMCL1POLB
SCHEMBL18577205 0.76 MEN1 (0.41) ALDH1A1MCL1POLBBCL2BCL2L1
SCHEMBL18577202 0.76 MEN1 (0.41) ALDH1A1MCL1POLBBCL2BCL2L1
SCHEMBL6399023 0.76 UCHL1 (0.44) MCL1POLBBCL2BCL2L1UCHL1
SCHEMBL8607784 0.75 POLB (0.52) ALDH1A1LMNAMAPTMCL1POLB
SCHEMBL6403333 0.75 RAB9A (0.42) ALDH1A1LMNAMAPTPOLBSMN1; SMN2
SCHEMBL12140713 0.75 POLB (0.51) ALDH1A1LMNAMAPTMCL1POLB
SCHEMBL4300613 0.74 UCHL1 (0.37) ALDH1A1MCL1POLBBCL2BCL2L1
SCHEMBL3832181 0.74 UCHL1 (0.39) MCL1POLBBCL2BCL2L1SMN1; SMN2

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-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
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
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 207/4885LMNA 2089/4885MAPT 3760/4885

“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.