SCHEMBL15802467

SCHEMBL15802467

NCCCN(C(=O)OCc1ccccc1)[C@@H](CCc1ccc(CCCCNC(=O)OCc2ccccc2)c2ccccc12)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
FOLH1 Q04609 6/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
HTT P42858 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
TGM2 P21980 1/20 0.41
ANPEP P15144 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
DPP4 P27487 1/20 0.40
DPP9 Q86TI2 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL16704743 0.91 DPP8 (0.43) DPP8DPP7FOLH1CPB1CPB2
SCHEMBL15802483 0.90 FOLH1 (0.45) DPP8DPP7FOLH1CPB1CPB2
SCHEMBL15802534 0.89 MAPT (0.47) DPP8DPP7FOLH1HTT
SCHEMBL15802611 0.86 FOLH1 (0.42) DPP8DPP7FOLH1CPB1CPB2
SCHEMBL15802486 0.84 TGM2 (0.41) DPP8DPP7FOLH1CPB1CPB2
SCHEMBL16704742 0.82 FOLH1 (0.43) DPP8DPP7FOLH1HTTSLC1A3
SCHEMBL15802567 0.82 DPP8 (0.42) DPP8DPP7FOLH1CPB1CPB2
SCHEMBL15802500 0.82 DPP8 (0.55) DPP8DPP7FOLH1HTTSLC1A3
SCHEMBL15802523 0.81 MAPT (0.44) DPP8DPP7FOLH1
SCHEMBL15834298 0.80 SIRT2 (0.55) DPP8DPP7FOLH1HTTTGM2

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-20170362187-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2017-12-21 US disclosed
US-9695134-B2 3,5-diamino-6-chloro-N-(n-(4-phenylbutyl)carbamimidoyl)pyrazine-2-carboxamide compounds PARION SCIENCES, INC. (US) 2017-07-04 US disclosed
US-20150299142-A1 3,5-DIAMINO-6-CHLORO-N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2-CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2015-10-22 US disclosed
US-9029382-B2 3,5-diamino-6-chloro-N-(N-(4-phenylbutyl)carbamimidoyl) pyrazine-2-carboxamide compounds PARION SCIENCES, INC. (US) 2015-05-12 US disclosed
US-20140170244-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2014-06-19 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-20140170244-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A DPP8 201/4885DPP7 36/4885FOLH1 2420/4885
US-20150299142-A1 3,5-DIAMINO-6-CHLORO-N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2-CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A DPP8 116/4885DPP7 27/4885FOLH1 2663/4885
US-20170362187-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A DPP8 201/4885DPP7 36/4885FOLH1 2420/4885

“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.