SCHEMBL2442845

SCHEMBL2442845

O=C(c1c[c]ccn1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
PTK2 Q05397 1/20 0.43
GNE Q9Y223 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 7/20 0.40
NPC1 O15118 8/20 0.38
RAB9A P51151 8/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL2445426 0.85 SMN1; SMN2 (0.50) L3MBTL1ALDH1A1HPGDNPC1RAB9A
SCHEMBL2537842 0.72 PTK2 (0.46) L3MBTL1PTK2GNEALDH1A1MAPT
SCHEMBL3390298 0.71 L3MBTL1 (0.86) L3MBTL1PTK2GNEALDH1A1GAA
SCHEMBL8133145 0.71 CYP3A4 (0.59) ALDH1A1GAAHPGD
SCHEMBL18228118 0.71 L3MBTL1 (0.86) L3MBTL1PTK2GNEALDH1A1GAA
SCHEMBL126487 0.71
SCHEMBL2533564 0.71 HPGD (0.47) L3MBTL1PTK2GNEALDH1A1HPGD
SCHEMBL12442612 0.70 CYP3A4 (0.58) ALDH1A1GAAHPGD
SCHEMBL969439 0.70 L3MBTL1 (0.83) L3MBTL1PTK2GNEALDH1A1MAPT
SCHEMBL31087166 0.70 CYP3A4 (0.58) ALDH1A1GAAHPGD

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 4 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
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP 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 L3MBTL1 3914/4885PTK2 4662/4885GNE 3062/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H L3MBTL1 4171/4885PTK2 4636/4885GNE 3052/4885

“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.