SCHEMBL2444264

SCHEMBL2444264

COc1cc[c]cc1CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.41
FFAR1 O14842 5/20 0.41
FFAR4 Q5NUL3 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FFAR2 O15552 1/20 0.40
HPGD P15428 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL27806506 0.87 POLB (0.45) POLBLMNAFFAR1FFAR4NPSR1
SCHEMBL2441285 0.86 LMNA (0.39) POLBLMNAHSD17B10SMN1; SMN2
SCHEMBL2442291 0.83 HSD17B10 (0.54) POLBLMNANPSR1HSD17B10SMN1; SMN2
SCHEMBL2442814 0.80 FFAR1 (0.42) FFAR1FFAR4NPSR1FFAR2
SCHEMBL7388700 0.80 TAAR1 (0.35) LMNASMN1; SMN2
SCHEMBL28054958 0.79 NPSR1 (0.44) POLBFFAR1FFAR4NPSR1HPGD
SCHEMBL3547466 0.78 HMGCR (0.43) SMN1; SMN2
SCHEMBL457842 0.77 TAAR1 (0.37) HSD17B10L3MBTL1
SCHEMBL4601776 0.76 TAAR1 (0.35) L3MBTL1
SCHEMBL29590071 0.76 LMNA (0.59) POLBLMNAFFAR1NPSR1HPGD

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-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
US-5389620-A Bronchodilation agent, vasodilation BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 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 POLB 573/4885LMNA 2685/4885FFAR1 1417/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H POLB 28/4885LMNA 3947/4885FFAR1 4178/4885

“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.