SCHEMBL2814838

SCHEMBL2814838

NCc1cccc(CN2CC(N)CC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
DPP4 P27487 3/20 0.44
NCF1 P14598 1/20 0.43
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 1/20 0.39
F10 P00742 1/20 0.37
KMT2A Q03164 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
SCHEMBL11021735 0.83 HPGD (0.64) HPGDTSHRDPP4PDE4APDE4B
SCHEMBL27603657 0.83 HPGD (0.64) HPGDTSHRDPP4PDE4APDE4B
Hydrochloric Acid SCHEMBL6872103 0.81 HPGD (0.62) HPGDTSHRDPP4PDE4APDE4B
Hydrochloric Acid SCHEMBL5412784 0.81 HPGD (0.62) HPGDTSHRDPP4PDE4APDE4B
SCHEMBL24718391 0.81 KMT2A (0.53) ALDH1A1KMT2A
SCHEMBL7204285 0.81 ALDH1A1 (0.49) HPGDALDH1A1KMT2A
SCHEMBL7415513 0.81 SIRT2 (0.51) HPGDTSHRDPP4ALDH1A1
Hydrochloric Acid SCHEMBL2332921 0.80 SIRT2 (0.50) HPGDTSHRDPP4ALDH1A1
SCHEMBL24322923 0.80 F10 (0.57) F10
SCHEMBL9621553 0.74 HTT (0.62) HPGDTSHRDPP4ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363668-B1 COMBINATIONS OF BILE ACID SEQUESTRANT(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORP (US) 2007-08-15 EP claimed
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
EP-1353694-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS Schering Corporation (US) 2003-10-22 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
WO-2002058734-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 WO claimed
US-8623873-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2014-01-07 US 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-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-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-20100286160-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INC. 2010-11-11 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-2002058732-A2 COMBINATIONS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) ACTIVATOR(S) AND STEROL ABSORPTION INHIBITOR(S) AND TREATMENTS FOR VASCULAR INDICATIONS SCHERING CORPORATION (US) 2002-08-01 WO disclosed
WO-2002058734-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH BLOOD MODIFIER(S) FOR TREATING VASCULAR CONDITIONS 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100286160-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 PRMT6 3090/4885HPGD 1480/4885TSHR 913/4885
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 PRMT6 3068/4885HPGD 507/4885TSHR 869/4885
US-20130072468-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 PRMT6 3090/4885HPGD 1480/4885TSHR 913/4885
US-20020147184-A1 Combinations of sterol absorption inhibitor(s) with blood modifier(s) for treating vascular conditions APOB, FABP2, CYP46A1 PRMT6 2354/4885HPGD 1042/4885TSHR 4212/4885

“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.