SCHEMBL6541506

SCHEMBL6541506

CCOC(=O)CN(Cc1ccccc1)CC(NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.46
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
TSHR P16473 1/20 0.42
CTSS P25774 6/20 0.42
CTSL P07711 3/20 0.42
CTSB P07858 3/20 0.42
KLK5 Q9Y337 2/20 0.42
TP53 P04637 1/20 0.41
SYK P43405 1/20 0.40
CTSK P43235 3/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL26869291 0.85 SYK (0.52) AKT1PSEN1PSEN2APH1BNCSTN
SCHEMBL27019058 0.84 AKT1 (0.47) AKT1PSEN1PSEN2APH1BNCSTN
SCHEMBL29060346 0.83 AKT1 (0.47) AKT1PSEN1PSEN2APH1BNCSTN
SCHEMBL27011276 0.83 AKT1 (0.47) AKT1PSEN1PSEN2APH1BNCSTN
SCHEMBL24326681 0.81 AKT1 (0.49) AKT1PSEN1PSEN2APH1BNCSTN
SCHEMBL27132402 0.81 AKT1 (0.49) AKT1PSEN1PSEN2APH1BNCSTN
SCHEMBL29245852 0.80 AKT1 (0.44) AKT1PSEN1PSEN2APH1BNCSTN
SCHEMBL29245854 0.80 AKT1 (0.44) AKT1PSEN1PSEN2APH1BNCSTN
SCHEMBL6541079 0.80 CTSS (0.47) AKT1PSEN1PSEN2APH1BNCSTN
SCHEMBL24326683 0.80 SYK (0.48) AKT1PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 US disclosed
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 AKT1 2282/4885PSEN1 2771/4885PSEN2 3711/4885

“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.