SCHEMBL4187570

SCHEMBL4187570

COc1cc(OC[C@@H]2CO2)c(NC(C)=O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 6/20 0.51
KDM4E B2RXH2 4/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 3/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CHRNA7 P36544 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL3222025 0.80 TSHR (0.46) ALDH1A1KMT2AKDM4EMEN1GAA
SCHEMBL4221398 0.80 TSHR (0.54) ALDH1A1KMT2AKDM4EPOLBMEN1
SCHEMBL4747449 0.80 TSHR (0.54) ALDH1A1KMT2AKDM4EPOLBMEN1
SCHEMBL1951762 0.80 TSHR (0.46) ALDH1A1KMT2AKDM4EMEN1GAA
SCHEMBL4804502 0.80 TSHR (0.50) ALDH1A1KMT2AMEN1GAANPSR1
SCHEMBL3860431 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL4214562 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL3815180 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL3805744 0.79 EPHX1 (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL2796701 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2009-07-09 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
US-20080167332-A1 Novel Compounds 243 ASTRAZENECA AB (SE) 2008-07-10 US disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US 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-20080167332-A1 Novel Compounds 243 UGT1A10, ABCG2, VKORC1L1 ALDH1A1 407/4885KMT2A 4089/4885KDM4E 2805/4885
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines REN, TACR1, AGTR1 ALDH1A1 1465/4885KMT2A 2480/4885KDM4E 2276/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 ALDH1A1 1375/4885KMT2A 2648/4885KDM4E 2324/4885
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ACKR3, CCR2, CCR5 ALDH1A1 648/4885KMT2A 4666/4885KDM4E 4622/4885

“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.