SCHEMBL3859657

SCHEMBL3859657

COc1ccc([N+](=O)[O-])c(OC[C@H]2CO2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
PTPN1 P18031 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 8/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 4/20 0.41
CHEK1 O14757 1/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 3/20 0.41

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
SCHEMBL6311506 1.00 PKM (0.51) PKMKMT2AMEN1PTPN1SMN1; SMN2
SCHEMBL6216795 1.00 PKM (0.51) PKMKMT2AMEN1PTPN1SMN1; SMN2
SCHEMBL6215780 0.84 ALDH1A1 (0.48) PKMKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL3815074 0.82 TDP1 (0.47) PKMKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4824611 0.82 TDP1 (0.47) PKMKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL2205094 0.82 PKM (0.51) PKMKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL25812948 0.79 CA12 (0.53) PKMKMT2AMEN1PTPN1SMN1; SMN2
SCHEMBL2794515 0.78 DRD4 (0.43) PKMKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL13490873 0.78 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3534158 0.78 RAB9A (0.56) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity HOSSAIN NAFIZAL 2009-12-03 US disclosed
US-7524856-B2 Tricyclic spiroderivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2009-04-28 US disclosed
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
US-20070099945-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor acitivity ASTRAZENECA AB (SE) 2007-05-03 US disclosed
EP-1699791-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US disclosed
WO-2005061499-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
EP-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 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 (4 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-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines REN, TACR1, AGTR1 PKM 981/4885KMT2A 2480/4885MEN1 642/4885
US-20070099945-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor acitivity ACKR3, CXCR1, CXCR2 PKM 1312/4885KMT2A 3922/4885MEN1 2152/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 PKM 1217/4885KMT2A 2648/4885MEN1 809/4885
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity CXCR1, CXCR2, CXCR4 PKM 1634/4885KMT2A 4258/4885MEN1 2460/4885

“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.