SCHEMBL2439017

SCHEMBL2439017

COC(=O)C(C)(C)c1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
KCNN4 O15554 1/20 0.42
PLCG1 P19174 1/20 0.41
BRS3 P32247 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
CYP2C19 P33261 1/20 0.36
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
SRC P12931 1/20 0.35
CYP19A1 P11511 1/20 0.35
DGAT1 O75907 1/20 0.33
ELANE P08246 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 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
SCHEMBL8974321 0.85 CNR1 (0.54) CNR1CNR2KCNN4PLCG1BRS3
SCHEMBL1355295 0.79 CNR2 (0.48) CNR2KMT2AALDH1A1RECQL
SCHEMBL728471 0.79 KCNN4 (0.67) CNR1CNR2KCNN4PLCG1NPSR1
SCHEMBL5877921 0.79 MAPT (0.50) CNR1CNR2KCNN4BRS3MAPT
SCHEMBL3573740 0.78 CNR1 (0.53) CNR1CNR2KCNN4BRS3MAPT
SCHEMBL1107149 0.78 CNR2 (0.57) CNR1CNR2KCNN4PLCG1BRS3
Ammonia Solution, Strong SCHEMBL11249050 0.78 KCNN4 (0.64) CNR1CNR2KCNN4PLCG1NPSR1
Hydrochloric Acid SCHEMBL27604363 0.78 KCNN4 (0.64) CNR1CNR2KCNN4PLCG1NPSR1
SCHEMBL127345 0.77 MAPT (0.43) CYP2C19MAPTKMT2ADGAT1ALDH1A1
SCHEMBL23583000 0.76 MAPT (0.59) CNR1CNR2KCNN4PLCG1BRS3

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 7 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
CN-101472902-A Novel piperazine compounds and their use as HCV polymerase inhibitors JAPAN TOBACCO INC (JP) 2009-07-01 CN 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
CN-1229347-C Process for preparing piperidine derivative fexofenadine AVENTIS PHARMA GMBH (DE) 2005-11-30 CN disclosed
CN-1516689-A Process for production of piperidine derivative fexofenadine ������ҽҩ�¹����޹�˾ 2004-07-28 CN 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 CNR1 830/4885CNR2 1565/4885KCNN4 3546/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H CNR1 2133/4885CNR2 3154/4885KCNN4 4021/4885

“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.