SCHEMBL17574398

SCHEMBL17574398

CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)N1CCC(CCN)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
ITGB3 P05106 7/20 0.34
ITGA2B P08514 7/20 0.34
DRD2 P14416 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL28173828 1.00 ACACB (0.36) ACACBACACAALDH1A1KMT2AMEN1
SCHEMBL17574380 0.91 ALDH1A1 (0.36) ACACBACACAALDH1A1KMT2AMEN1
SCHEMBL7299678 0.91 ALDH1A1 (0.36) ACACBACACAALDH1A1KMT2AMEN1
SCHEMBL9073870 0.91 ALDH1A1 (0.36) ACACBACACAALDH1A1KMT2AMEN1
SCHEMBL17558184 0.90 ACACB (0.38) ACACBACACAALDH1A1KMT2AMEN1
SCHEMBL17558186 0.90 ACACB (0.38) ACACBACACAALDH1A1KMT2AMEN1
SCHEMBL13519732 0.89 ALDH1A1 (0.36) ACACBACACAALDH1A1KMT2AMEN1
SCHEMBL15080558 0.89 ALDH1A1 (0.36) ACACBACACAALDH1A1KMT2AMEN1
SCHEMBL9214882 0.87 KDM4E (0.36) ACACBACACAALDH1A1KMT2AMEN1
SCHEMBL9214872 0.87 KDM4E (0.36) ACACBACACAALDH1A1KMT2AMEN1

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-20170283403-A1 DIAMIDE MACROCYCLES THAT ARE FXIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-05 US disclosed
WO-2016036893-A1 DIAMIDE MACROCYCLES THAT ARE FXIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-10 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-20170283403-A1 DIAMIDE MACROCYCLES THAT ARE FXIA INHIBITORS TFPI, TFPI2, F2 ACACB 3280/4885ACACA 2699/4885ALDH1A1 3888/4885

“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.