SCHEMBL3544637

SCHEMBL3544637

CC(C)(C)OC(=O)NCCCCC(N)C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 1/20 0.43
ITGB3 P05106 8/20 0.42
ITGA2B P08514 8/20 0.42
CALCRL Q16602 1/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
EPHX1 P07099 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 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
SCHEMBL3544639 1.00 DPP8 (0.43) DPP8DPP9ITGB3ITGA2BCALCRL
SCHEMBL13598863 0.84 MEN1 (0.54) DPP8DPP9ITGB3ITGA2BMEN1
SCHEMBL28269379 0.84 TDP1 (0.47) DPP8DPP9MEN1KMT2AALDH1A1
SCHEMBL28269377 0.84 TDP1 (0.47) DPP8DPP9MEN1KMT2AALDH1A1
SCHEMBL28629697 0.82 EPHX1 (0.48) DPP8DPP9MEN1KMT2AALDH1A1
SCHEMBL28618898 0.82 TDP1 (0.46) DPP8DPP9ITGB3ITGA2BMEN1
SCHEMBL28457530 0.81 MEN1 (0.45) DPP8DPP9ITGB3ITGA2BMEN1
SCHEMBL6792312 0.81 DPP7 (0.46) DPP8DPP9ITGB3ITGA2BMEN1
SCHEMBL28581494 0.80 EPHX1 (0.46) DPP8DPP9ITGB3ITGA2BMEN1
SCHEMBL19708437 0.80 EPHX1 (0.46) DPP8DPP9ITGB3ITGA2BMEN1

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-7834007-B2 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-16 US disclosed
US-20070049577-A1 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049577-A1 CGRP antagonists CALCRL, CALCR, CALCA DPP8 3752/4885DPP9 2843/4885ITGB3 2324/4885

“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.