SCHEMBL2404449

SCHEMBL2404449

CN(C)CCOB(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LYPLA1 O75608 1/20 0.46
LYPLA2 O95372 1/20 0.46
MAPT P10636 1/20 0.34
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
TAAR1 Q96RJ0 2/20 0.33
TDO2 P48775 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2407160 0.75 KDM4E (0.53) KDM4E
SCHEMBL2411647 0.74 LYPLA1 (0.47) LYPLA1LYPLA2MAPTCHRNB2CHRNA4
SCHEMBL2411606 0.74 LYPLA1 (0.47) LYPLA1LYPLA2MAPTCHRNB2CHRNA4
SCHEMBL12266378 0.72 LYPLA1 (0.59) LYPLA1LYPLA2KDM4ESMN1; SMN2
SCHEMBL21444471 0.71 MAPT (0.60) MAPTCHRNB2CHRNA4KDM4ESMN1; SMN2
SCHEMBL2407885 0.70 LYPLA1 (0.54) LYPLA1LYPLA2KDM4E
SCHEMBL12270761 0.68 LYPLA1 (0.48) LYPLA1LYPLA2MAPTCHRNB2CHRNA4
SCHEMBL12266325 0.68 LYPLA1 (0.50) LYPLA1LYPLA2TAAR1KDM4E
SCHEMBL13476010 0.67 LYPLA1 (0.61) LYPLA1LYPLA2CHRNB2CHRNA4KDM4E
SCHEMBL12266287 0.67 LYPLA1 (0.70) LYPLA1LYPLA2KDM4ESMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
WO-2010018837-A2 PROTEIN CROSS-LINKING INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 WO disclosed
WO-2010018836-A2 POLYGLUTAMINE AGGREGATION INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 LYPLA1 1153/4885LYPLA2 1988/4885MAPT 3240/4885

“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.