SCHEMBL8233145

SCHEMBL8233145

CC(C)(C)OC(=O)N1Cc2ccccc2CC1C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
NR1D1 P20393 2/20 0.50
PTPN1 P18031 4/20 0.49
HDAC8 Q9BY41 3/20 0.48
F10 P00742 4/20 0.47
FKBP1A P62942 2/20 0.47

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
SCHEMBL29727828 1.00 NPSR1 (0.53) NPSR1NR1D1PTPN1HDAC8F10
SCHEMBL9252347 0.91 NPSR1 (0.58) NPSR1NR1D1PTPN1HDAC8F10
SCHEMBL20143637 0.88 PTPN1 (0.50) NPSR1PTPN1HDAC8
SCHEMBL17486403 0.88 PTPN1 (0.50) NPSR1PTPN1HDAC8
SCHEMBL7228628 0.87 ACE (0.59) NPSR1PTPN1HDAC8FKBP1A
SCHEMBL7228636 0.87 ACE (0.59) NPSR1PTPN1HDAC8FKBP1A
SCHEMBL204506 0.87 FKBP1A (0.49) PTPN1FKBP1A
SCHEMBL204505 0.87 FKBP1A (0.49) PTPN1FKBP1A
SCHEMBL6787776 0.87 FKBP1A (0.49) PTPN1FKBP1A
SCHEMBL4480030 0.87 NR1D1 (0.61) NR1D1PTPN1HDAC8

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-20190309014-A1 PROCESS FOR PREPARATION OF ICATIBANT ACETATE EMCURE PHARMACEUTICALS LIMITED (IN) 2019-10-10 US disclosed
WO-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 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-20190309014-A1 PROCESS FOR PREPARATION OF ICATIBANT ACETATE VIP, HM13, C5AR2 NPSR1 2236/4885NR1D1 4755/4885PTPN1 4287/4885

“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.