SCHEMBL4942961

SCHEMBL4942961

CS(=O)(=O)O.C[C@H](N)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21

nearest known ligand 0.91

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XIAP P98170 3/20 0.91
PSEN1 P49768 6/20 0.64
PSEN2 P49810 6/20 0.64
APH1B Q8WW43 6/20 0.64
NCSTN Q92542 6/20 0.64
APH1A Q96BI3 6/20 0.64
PSENEN Q9NZ42 6/20 0.64
SPPL2A Q8TCT8 7/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
GRM7 Q14831 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
SCHEMBL15206723 0.95 XIAP (1.00) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4535364 0.95 XIAP (1.00) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL15216926 0.95 XIAP (1.00) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL15206725 0.95 XIAP (1.00) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL4943515 0.95 XIAP (1.00) XIAPPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL4939457 0.94 XIAP (0.98) XIAPPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL4939467 0.94 XIAP (0.98) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL15216925 0.86 XIAP (0.82) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL7849704 0.83 XIAP (0.77) XIAPPSEN1PSEN2APH1BNCSTN
SCHEMBL21577575 0.81 PSEN1 (0.81) XIAPPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468365-B2 Lactam compound ELI LILLY AND COMPANY (US) 2008-12-23 US disclosed
US-20070299053-A1 Lactam compound ELI LILLY AND COMPANY 2007-12-27 US 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-20070299053-A1 Lactam compound AAAS, ORMDL3, NAALAD2 XIAP 3446/4885PSEN1 739/4885PSEN2 430/4885

“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.