SCHEMBL2407730

SCHEMBL2407730

CN(C)CCSB(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.44
TAAR1 Q96RJ0 1/20 0.42
HTR2A P28223 4/20 0.39
HRH1 P35367 2/20 0.39
HTR1A P08908 3/20 0.39
DRD2 P14416 1/20 0.39
LYPLA1 O75608 1/20 0.38
LYPLA2 O95372 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TOP2A P11388 1/20 0.37

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
SCHEMBL2407557 0.72 CYP1A2 (0.43) TAAR1HTR2AHRH1SMN1; SMN2
SCHEMBL5174350 0.68 ALDH1A1 (0.61) HTR7TAAR1HTR2AHTR1ADRD2
SCHEMBL12266354 0.68 KIF11 (0.47) TAAR1
SCHEMBL24244319 0.65 TAAR1 (0.54) HTR7TAAR1HTR2AHRH1SMN1; SMN2
SCHEMBL13242100 0.64 SLC6A3 (0.57) HTR7HTR2AHRH1SMN1; SMN2
SCHEMBL31135504 0.62 LYPLA1 (0.54) HTR7TAAR1HTR2AHRH1DRD2
SCHEMBL6127997 0.62 KMT2A (0.54) HTR7DRD2
Toluene SCHEMBL9013272 0.61 TSHR (0.61) TAAR1HTR2AHRH1SMN1; SMN2
SCHEMBL11534561 0.61 ALDH1A1 (0.56) HTR7HTR2AHRH1HTR1ASMN1; SMN2
SCHEMBL2407729 0.61 KDM4E (0.35) HTR2AHRH1

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-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
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

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 HTR7 4458/4885TAAR1 3667/4885HTR2A 4731/4885

“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.