Sugi Predict

Sugi Predict / Compounds / SCHEMBL4404079

SCHEMBL4404079

SCHEMBL4404079

CCNC(=O)C1CNCCN1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MMP1 P03956 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ MC5R P33032 1/20 0.33
▸ MC3R P41968 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ F9 P00740 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ F12 P00748 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33

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
SCHEMBL25023038 0.84 GNAI3 (0.52) —
SCHEMBL25023495 0.84 GNAI3 (0.52) —
SCHEMBL2916330 0.82 CHRNB2 (0.39) KMT2AMEN1MMP1MMP3MMP7
SCHEMBL8389538 0.79 MMP1 (0.44) KMT2AMEN1MMP1MMP3MMP7
SCHEMBL14754501 0.78 KDM4E (0.38) KMT2AMMP1MMP3MMP7MMP9
SCHEMBL14754511 0.78 KDM4E (0.38) KMT2AMMP1MMP3MMP7MMP9
SCHEMBL2917733 0.78 KDM4E (0.38) KMT2AMMP1MMP3MMP7MMP9
SCHEMBL25043792 0.78 BCHE (0.42) KMT2AHTTBCHEALDH1A1MMP1
SCHEMBL4402268 0.78 MMP1 (0.43) KMT2AHTTALDH1A1MMP1MMP3
SCHEMBL27286359 0.77 CHRNB2 (0.33) KMT2AMEN1MMP1MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 — — US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 — — US disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 — — 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 (2 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP KMT2A 779/4885HTT 4418/4885BCHE 1988/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H KMT2A 1343/4885HTT 3451/4885BCHE 3666/4885

“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.