SCHEMBL8860207

SCHEMBL8860207

COC(=O)C1CCC(N)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ ANPEP P15144 3/20 0.34
▸ LNPEP Q9UIQ6 3/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ PPM1B O75688 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PPP1CC P36873 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL13640163 0.90 KMT2A (0.40) KMT2AANPEPLNPEPCYP1A2HIF1A
SCHEMBL13818365 0.84 KMT2A (0.42) KMT2AANPEPMMP1MMP13BRD4
SCHEMBL4508220 0.81 ALDH1A1 (0.39) KMT2ACYP1A2PPM1BPTPN1PPP1CC
SCHEMBL13640202 0.81 KMT2A (0.42) KMT2AALOX12NPSR1
SCHEMBL13640173 0.78 KMT2A (0.49) KMT2AMMP1MMP13ALOX12NPSR1
SCHEMBL10331846 0.77 ANPEP (0.36) KMT2AANPEPLNPEPCYP1A2HIF1A
SCHEMBL23736270 0.74 KMT2A (0.32) KMT2A
SCHEMBL23736283 0.73 KMT2A (0.31) KMT2A
Hydrochloric Acid SCHEMBL8801345 0.73 POLB (0.35) KMT2ACYP1A2BACE1
SCHEMBL15727225 0.72 CTSD (0.32) KMT2A

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-20160272617-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-22 — — US disclosed
EP-3049390-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 — — EP disclosed
WO-2015044163-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 — — WO disclosed
US-5637768-A ADDING WET PENICILLIN ACYLASE TO A SOLUTION OF 6-FLUOROMETHYL-3-(PHENYLACETYL)-AMINO-2-PIPERIDONE, RECOVERING THE DEACETYLATED PRODUCT, ADDING ACID; TREATMENT OF ALZHEIMER*S DISEASE MERRELL PHARMACEUTICALS, INC. (US) 1997-06-10 — — US disclosed
EP-0682515-A1 USE OF INHIBITORS OF ORNITHINE AMINOTRANSFERASE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS INC. (US) 1995-11-22 — — EP disclosed
WO-1994017795-A1 USE OF INHIBITORS OF ORNITHINE AMINOTRANSFERASE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERRELL DOW PHARMACEUTICALS INC. (US) 1994-08-18 — — 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-20160272617-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT KMT2A 1451/4885ANPEP 26/4885LNPEP 49/4885

“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.

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