SCHEMBL218065

SCHEMBL218065

O=C1CCC(=O)N1OCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
TP53 P04637 4/20 0.40
HBB P68871 1/20 0.40
ALOX12 P18054 1/20 0.36
TSHR P16473 4/20 0.35
ALDH1A1 P00352 6/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
HIF1A Q16665 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 2/20 0.32
GLA P06280 1/20 0.32
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL11542621 0.79 DRD2 (0.43) ALOX12ALDH1A1TDP1GLAPOLB
SCHEMBL9651195 0.79 DRD2 (0.43) ALOX12ALDH1A1TDP1GLAPOLB
SCHEMBL22446070 0.78 TP53 (0.39) SMN1; SMN2TP53HBBTSHRALDH1A1
SCHEMBL5435139 0.74 TP53 (0.48) SMN1; SMN2TP53HBBTSHRALDH1A1
SCHEMBL7002095 0.72 GAA (0.51) SMN1; SMN2TP53TSHRALDH1A1TDP1
SCHEMBL13479863 0.69 GRM2 (0.35) SMN1; SMN2ALOX12LMNA
SCHEMBL16290005 0.69 ALOX12 (0.53) SMN1; SMN2ALOX12ALDH1A1LMNAGAA
SCHEMBL964091 0.67 SMN1; SMN2 (0.56) SMN1; SMN2TP53HBBTSHRALDH1A1
SCHEMBL23116291 0.67 TP53 (0.36) SMN1; SMN2TP53HBBTSHRALDH1A1
SCHEMBL28493276 0.66 TP53 (0.35) SMN1; SMN2TP53HBBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402037-B1 CONTROLLED RELEASE OF PHENOLIC OPIOIDS SIGNATURE THERAPEUTICS INC (US) 2019-10-23 EP disclosed
US-20150148284-A1 Controlled Release of Phenolic Opioids PHARMACOFORE, INC. 2015-05-28 US disclosed
US-8921418-B2 Controlled release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2014-12-30 US disclosed
EP-2046393-B1 CONTROLLED RELEASE OF PHENOLIC OPIOIDS SIGNATURE THERAPEUTICS INC (US) 2014-02-12 EP disclosed
US-20120270894-A1 Controlled Release of Phenolic Opioids 3I, LP 2012-10-25 US disclosed
US-8217005-B2 Controlled release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2012-07-10 US disclosed
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids SIGNATURE THERAPEUTICS, INC. 2012-06-07 US disclosed
EP-2402037-A1 Controlled release of phenolic opioids Pharmacofore, Inc. (US) 2012-01-04 EP disclosed
US-20110105381-A2 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. (US) 2011-05-05 US disclosed
US-20100267614-A1 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. 2010-10-21 US disclosed
US-20100035826-A1 CONTROLLED RELEASE OF PHENOLIC OPIOIDS Phamacofoce, Inc. (CA) 2010-02-11 US disclosed
EP-2046393-A2 CONTROLLED RELEASE OF PHENOLIC OPIOIDS Pharmacofore, Inc. (US) 2009-04-15 EP disclosed
WO-2008101202-A1 N-17-ALKYLATED PRODRUGS OF OPIOIDS PHARMACOFORE, INC. (US) 2008-08-21 WO disclosed
WO-2008101187-A2 PRO-DRUGS OF PERIPHERAL PHENOLIC OPIOID ANTAGONISTS PHARMACOFORE, INC. (US) 2008-08-21 WO disclosed
WO-2007140272-A2 CONTROLLED RELEASE OF PHENOLIC OPIOIDS PHARMACOFORE, INC. (US) 2007-12-06 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 (6 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-20120270894-A1 Controlled Release of Phenolic Opioids OPRK1, OPRM1, OPRD1 SMN1; SMN2 3704/4885TP53 4322/4885HBB 944/4885
US-20150148284-A1 Controlled Release of Phenolic Opioids OPRK1, OPRM1, OPRD1 SMN1; SMN2 3704/4885TP53 4322/4885HBB 944/4885
US-20110105381-A2 Prodrugs of Peripheral Phenolic Opioid Antagonists OPRM1, OPRL1, OPRK1 SMN1; SMN2 2464/4885TP53 4814/4885HBB 1638/4885
US-20100035826-A1 CONTROLLED RELEASE OF PHENOLIC OPIOIDS OPRK1, OPRM1, OPRD1 SMN1; SMN2 3704/4885TP53 4322/4885HBB 944/4885
US-20120142718-A1 N-17-Alkylated Prodrugs of Opioids OPRM1, OPRD1, OPRL1 SMN1; SMN2 1877/4885TP53 4312/4885HBB 1217/4885
US-20100267614-A1 Prodrugs of Peripheral Phenolic Opioid Antagonists OPRM1, OPRK1, OPRL1 SMN1; SMN2 2579/4885TP53 4815/4885HBB 1759/4885

“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.