SCHEMBL7268161

SCHEMBL7268161

CC(C)(C)OC(=O)NC1(NCc2ccccn2)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 2/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.40
RECQL P46063 1/20 0.40
REN P00797 1/20 0.39
CTSD P07339 1/20 0.39
CTSE P14091 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL30389566 0.78 GAA (0.50) GAAKDM4EALDH1A1ALOX15CYP3A4
SCHEMBL4678395 0.76 SMN1; SMN2 (0.61) GAAKDM4EALDH1A1KMT2AHPGD
SCHEMBL29611056 0.76 SMN1; SMN2 (0.61) GAAKDM4EALDH1A1KMT2AHPGD
SCHEMBL30992257 0.75 SMN1; SMN2 (0.59) GAAKDM4EALDH1A1ALOX15KMT2A
SCHEMBL14074323 0.73 GAA (0.43) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14074324 0.71 TRPV3 (0.37) KDM4ECYP3A4
SCHEMBL6826220 0.71 RAB9A (0.37) GAAKDM4EALDH1A1ALOX15KMT2A
SCHEMBL2390889 0.71 AKT1 (0.42) GAAKMT2AMEN1RAB9ANPC1
SCHEMBL19185892 0.71 CA12 (0.48) GAACYP3A4KMT2AMEN1RECQL
SCHEMBL4066257 0.70 KMT2A (0.46) ALDH1A1CYP3A4KMT2AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 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-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 GAA 4680/4885KDM4E 4709/4885ALDH1A1 1755/4885

“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.