SCHEMBL3889495

SCHEMBL3889495

CCCN(CCC)C(=O)c1cc(C(C)=O)cc(C(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CREBBP Q92793 1/20 0.42
MLYCD O95822 1/20 0.42
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SLC7A5 Q01650 2/20 0.40
BACE1 P56817 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 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
SCHEMBL3349941 0.88 KDM4E (0.46) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3347320 0.88 NOTUM (0.49) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL23532656 0.88 KDM4E (0.46) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3351101 0.86 KDM4E (0.45) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3349246 0.86 KDM4E (0.45) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL30029282 0.86 KDM4E (0.45) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3353747 0.86 KDM4E (0.45) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3886309 0.86 LMNA (0.43) KDM4ELMNAALDH1A1CREBBPCA12
SCHEMBL13333687 0.84 KDM4E (0.43) KDM4ELMNAALDH1A1MLYCDHPGD
SCHEMBL3350536 0.82 CTSD (0.46) KDM4ELMNAALDH1A1MLYCDHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476764-B2 Phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-13 US disclosed
US-7476764-B2 Phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-13 US disclosed
US-7476764-B2 Phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-13 US disclosed
US-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-08 US disclosed
US-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-08 US disclosed
US-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-08 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-20070032470-A1 Novel phenylcarboxyamides as beta-secretase inhibitors BACE1, APP, BACE2 KDM4E 1359/4885LMNA 609/4885ALDH1A1 3847/4885

“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.