SCHEMBL3886133

SCHEMBL3886133

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.45
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
BACE1 P56817 2/20 0.39
CTSD P07339 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA9 Q16790 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLC22A12 Q96S37 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
SCHEMBL14541116 0.86 MLYCD (0.45) MLYCDTP53HPGDEGFRERBB2
SCHEMBL3352183 0.86 MLYCD (0.45) MLYCDTP53HPGDEGFRERBB2
SCHEMBL14376244 0.86 CA12 (0.50) MLYCDTP53HPGDEGFRERBB2
SCHEMBL2953707 0.86 TPMT (0.53) MLYCDTP53HPGDEGFRERBB2
SCHEMBL5130313 0.85 MLYCD (0.44) MLYCDTP53HPGDEGFRERBB2
SCHEMBL7110187 0.85 MLYCD (0.44) MLYCDTP53HPGDEGFRERBB2
SCHEMBL3855652 0.85 HCAR3 (0.40) RAB9ACA12CA2SMN1; SMN2CA9
Hydrochloric Acid SCHEMBL6172498 0.85 TPMT (0.52) MLYCDTP53HPGDEGFRERBB2
SCHEMBL3348452 0.85 MLYCD (0.44) MLYCDTP53HPGDEGFRERBB2
SCHEMBL7115213 0.83 MLYCD (0.43) MLYCDTP53HPGDEGFRERBB2

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 MLYCD 3321/4885TP53 3617/4885HPGD 3651/4885

“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.