SCHEMBL2701043

SCHEMBL2701043

CCCn1cc(CN)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
GABRA1 P14867 1/20 0.48
GABRR1 P24046 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
PIK3CD O00329 1/20 0.38
PIP5K1C O60331 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
DRD4 P21917 1/20 0.36
NAMPT P43490 4/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL12181571 0.83 L3MBTL1 (0.52) L3MBTL1PRMT5WDR77PIK3CDPIP5K1C
SCHEMBL174122 0.83
SCHEMBL18083219 0.82 L3MBTL1 (0.50) L3MBTL1PRMT5WDR77PIK3CDPIP5K1C
SCHEMBL12311437 0.82 L3MBTL1 (0.55) L3MBTL1GABRA1GABRR1GABRA3GABRA2
SCHEMBL15721466 0.80 GABRA1 (0.53) L3MBTL1GABRA1GABRR1GABRA3GABRA2
SCHEMBL4752963 0.80 L3MBTL1 (0.49) L3MBTL1PIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL7992278 0.80 L3MBTL1 (0.49) L3MBTL1PRMT5WDR77PIK3CDPIP5K1C
SCHEMBL24570289 0.79 GABRA1 (0.44) GABRA1GABRR1GABRA3GABRA2GABRB2
Hydrochloric Acid SCHEMBL26606617 0.78 GABRA1 (0.43) GABRA1GABRR1GABRA3GABRA2GABRB2
SCHEMBL10864107 0.78 DRD4 (0.44) L3MBTL1PRMT5WDR77PIK3CDPIP5K1C

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
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 3914/4885GABRA1 673/4885GABRR1 2055/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H L3MBTL1 4171/4885GABRA1 3412/4885GABRR1 3860/4885

“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.