SCHEMBL3324938

SCHEMBL3324938

COCC1(COC)CCN(C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.37
USP2 O75604 7/20 0.37
CYP2C19 P33261 4/20 0.37
HSD17B10 Q99714 4/20 0.37
CYP2D6 P10635 5/20 0.37
ALDH1A1 P00352 6/20 0.36
CYP1A2 P05177 4/20 0.36
MAPK1 P28482 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 3/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.34
KDM1A O60341 3/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL18497005 0.91 ALDH1A1 (0.36) CYP3A4USP2CYP2C19HSD17B10CYP2D6
SCHEMBL5566107 0.82 CYP2D6 (0.36) CYP3A4USP2CYP2C19HSD17B10CYP2D6
SCHEMBL17009549 0.78 CYP2D6 (0.36) CYP3A4USP2CYP2C19HSD17B10CYP2D6
SCHEMBL28501410 0.78 PTGER2 (0.40) CYP3A4USP2CYP2C19HSD17B10CYP2D6
SCHEMBL23536294 0.77 CYP2D6 (0.34) CYP3A4USP2CYP2C19HSD17B10CYP2D6
SCHEMBL1119769 0.75 USP2 (0.36) CYP3A4USP2CYP2C19HSD17B10CYP2D6
SCHEMBL2209078 0.74 ALDH1A1 (0.37) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL5380076 0.73 HSD11B1 (0.48) CYP3A4USP2CYP2C19HSD17B10CYP2D6
SCHEMBL15716997 0.73 USP2 (0.36) CYP3A4USP2CYP2C19HSD17B10CYP2D6
SCHEMBL28170910 0.72 CYP3A4 (0.34) CYP3A4USP2CYP2C19HSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8603975-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2013-12-10 US disclosed
EP-2150269-B1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-11-21 EP disclosed
US-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-05-13 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-20100120672-A1 CYCLIC PEPTIDE COMPOUNDS VIP, HAVCR2, ZC3HAV1 CYP3A4 4773/4885USP2 4089/4885CYP2C19 4475/4885

“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.