SCHEMBL15802483

SCHEMBL15802483

NCCCN(C(=O)OCc1ccccc1)[C@@H](CCc1ccc(CCCCNC(=O)OCc2ccccc2)cc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.45
HTT P42858 1/20 0.45
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44
TGM2 P21980 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TPSAB1 Q15661 1/20 0.43
ANPEP P15144 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42

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
SCHEMBL15802611 0.94 FOLH1 (0.42) FOLH1HTTCPB1CPB2SLC1A3
SCHEMBL15802467 0.90 DPP8 (0.44) FOLH1HTTCPB1CPB2SLC1A3
SCHEMBL15802459 0.88 MAPT (0.49) FOLH1HTTSLC1A3SLC1A1CHRNB2
SCHEMBL16704743 0.88 DPP8 (0.43) FOLH1HTTCPB1CPB2SLC1A3
SCHEMBL15802511 0.85 FOLH1 (0.45) FOLH1HTTSLC1A3SLC1A1TGM2
SCHEMBL15802598 0.83 MAPT (0.46) FOLH1HTTDPP8DPP7TPSAB1
SCHEMBL5406795 0.82 FOLH1 (0.54) FOLH1HTTSLC1A3SLC1A1TGM2
SCHEMBL965126 0.81 HTT (0.62) FOLH1HTTCPB1CPB2TGM2
SCHEMBL15839494 0.81 HTT (0.62) FOLH1HTTCPB1CPB2TGM2
SCHEMBL15802601 0.81 SIRT2 (0.44) FOLH1

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 FOLH1 2420/4885HTT 4494/4885CPB1 610/4885
US-20150299142-A1 3,5-DIAMINO-6-CHLORO-N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2-CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A FOLH1 2663/4885HTT 4578/4885CPB1 596/4885
US-20170362187-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A FOLH1 2420/4885HTT 4494/4885CPB1 610/4885

“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.