SCHEMBL1189878

SCHEMBL1189878

CCC(=O)Nc1ccc(CN)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
GAA P10253 3/20 0.58
ATM Q13315 2/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
RAB9A P51151 5/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NPC1 O15118 3/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 2/20 0.51
KDM4E B2RXH2 2/20 0.51
NR4A1 P22736 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTT P42858 1/20 0.50

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
SCHEMBL13989319 0.85 GAA (0.73) CA12CA1CA2CA9GAA
SCHEMBL27927732 0.85 TP53 (0.68) CA12CA1CA2CA9MAPT
SCHEMBL826066 0.84 HDAC3 (0.64) CA12CA1CA2CA9GAA
SCHEMBL12285463 0.84 GAA (0.61) CA12CA1CA2CA9GAA
SCHEMBL28779123 0.83 POLB (0.63) CA1CA2MAPTALDH1A1MEN1
SCHEMBL27966406 0.82 GAA (0.67) CA12CA1CA2CA9GAA
SCHEMBL13652580 0.82 GAA (0.59) CA12CA1CA2CA9GAA
SCHEMBL6029960 0.82 GAA (0.59) CA12CA1CA2CA9GAA
SCHEMBL4599573 0.82 RAB9A (0.63) GAAMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL10117151 0.81 POLB (0.60) CA12CA1CA2CA9GAA

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 159 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1810693-A2 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions Shering Corporation (US) 2007-07-25 EP claimed
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions SCHERING CORPORATION 2002-10-10 US claimed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US disclosed
EP-1810971-B1 Substituted azetidinone compounds, formulations and uses thereof for the treatment of hypercholesterolemia MERCK SHARP & DOHME (US) 2013-12-25 EP disclosed
EP-1606287-B1 SUBSTITUTED AZETIDINONE COMPOUNDS, FORMULATIONS AND USES THEREOF FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA MERCK SHARP & DOHME (US) 2013-10-02 EP disclosed
EP-1819684-B1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INT BV (NL) 2013-08-07 EP disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-20130072468-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS GILBERT ERIC J (US) 2013-03-21 US disclosed
EP-2548874-A2 Substituted piperazines as CB1 antagonists Intervet International B.V. (NL) 2013-01-23 EP disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20020183305-A1 Combinations of nicotinic acid and derivatives thereof and sterol absorption inhibitor(s) and treatments for vascular indications SCHERING CORPORATION 2002-12-05 US disclosed
US-20020169134-A1 Use of substituted azetidinone compounds for the treatment of sitosterolemia SCHERING CORPORATION 2002-11-14 US disclosed
US-20020151536-A1 Combinations of peroxisome proliferator-activated receptor (PPAR) activator(s) and sterol absorption inhibitor(s) and treatments for vascular indications SCHERING CORPORATION 2002-10-17 US disclosed
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions SCHERING CORPORATION 2002-10-10 US disclosed
WO-2002058685-A2 COMBINATIONS OF NICOTINIC ACID AND DERIVATIVES THEREOF AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058731-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH CARDIOVASCULAR AGENT(S) FOR THE TREATMENT OF VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058733-A2 COMBINATIONS OF BILE ACID SEQUESTRANT(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058696-A2 THE USE OF SUBSTITUTED AZETIDINONE COMPOUNDS FOR THE TREATMENT OF SITOSTEROLEMIA SCHERING CORPORATION (US) 2002-08-01 WO disclosed
CN-1211572-A Cyclic amine derivatives-CCR-3 receptor antagonists HOFFMANN LA ROCHE (CH) 1999-03-24 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 (6 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-20020151536-A1 Combinations of peroxisome proliferator-activated receptor (PPAR) activator(s) and sterol absorption inhibitor(s) and treatments for vascular indications PPARG, PPARA, PPARD CA12 4790/4885CA1 4844/4885CA2 4722/4885
US-20130072468-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 CA12 4237/4885CA1 3472/4885CA2 3771/4885
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 CA12 2552/4885CA1 1920/4885CA2 74/4885
US-20020183305-A1 Combinations of nicotinic acid and derivatives thereof and sterol absorption inhibitor(s) and treatments for vascular indications CYP46A1, APOB, SLC10A2 CA12 3353/4885CA1 4058/4885CA2 4034/4885
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions APOB, FABP2, CYP46A1 CA12 1696/4885CA1 3412/4885CA2 1475/4885
US-20020169134-A1 Use of substituted azetidinone compounds for the treatment of sitosterolemia CYP46A1, CYP27A1, CYP51A1 CA12 3649/4885CA1 3807/4885CA2 3569/4885

“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.