SCHEMBL4810699

SCHEMBL4810699

N=C(N)NCCCC(N)C(=O)C(=O)C(=O)C(N)CCCNC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.40
▸ OTC P00480 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DDAH1 O94760 1/20 0.37
▸ NPY4R P50391 7/20 0.37
▸ NPY1R P25929 5/20 0.37
▸ NPY2R P49146 3/20 0.37
▸ NPY5R Q15761 3/20 0.37
▸ ANPEP P15144 2/20 0.35
▸ RNPEP Q9H4A4 2/20 0.35
▸ DNPEP Q9ULA0 1/20 0.35
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34

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
SCHEMBL4810722 1.00 DPP7 (0.40) DPP7OTCALOX15MEN1CYP1A2
SCHEMBL15820093 0.89 DPP7 (0.40) DPP7OTCALOX15MEN1CYP1A2
SCHEMBL8213398 0.87 OTC (0.41) DPP7OTCALOX15MEN1CYP1A2
SCHEMBL11814623 0.87 OTC (0.41) DPP7OTCALOX15MEN1CYP1A2
SCHEMBL4255647 0.86 DPP7 (0.41) DPP7OTCALOX15MEN1CYP1A2
SCHEMBL8745862 0.85 DDAH1 (0.40) DPP7OTCALOX15MEN1CYP1A2
SCHEMBL9190017 0.85 DDAH1 (0.40) DPP7OTCALOX15MEN1CYP1A2
SCHEMBL30256813 0.85 DPP7 (0.42) DPP7OTCALOX15MEN1CYP1A2
SCHEMBL598710 0.85 DPP7 (0.42) DPP7OTCALOX15MEN1CYP1A2
SCHEMBL304115 0.85 DPP7 (0.42) DPP7OTCALOX15MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090658-B2 Base-substituted benzylamine analogs for use as coagulation factor Xa inhibitors, the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2015-07-28 — — US disclosed
US-7407982-B2 Oligo or polyalkylene glycol-coupled thrombin inhibitors HAEMOSYS GMBH (DE) 2008-08-05 — — US disclosed
US-20070066539-A1 Base-substituted benzylamine analogs for use as coagulation factor xa inhibitors, the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2007-03-22 — — US disclosed
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 — — US disclosed
US-20050070479-A1 Oligo or polyalkylene glycol-coupled thrombin inhibitors HAEMOSYS GMBH (DE) 2005-03-31 — — 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 (3 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-20070066539-A1 Base-substituted benzylamine analogs for use as coagulation factor xa inhibitors, the production and use thereof F12, F2, F11 DPP7 1220/4885OTC 2560/4885ALOX15 1550/4885
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same SERPINC1, TFPI, F11 DPP7 349/4885OTC 2502/4885ALOX15 1259/4885
US-20050070479-A1 Oligo or polyalkylene glycol-coupled thrombin inhibitors TFPI, SERPINC1, PLG DPP7 238/4885OTC 1023/4885ALOX15 521/4885

“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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