SCHEMBL4031187

SCHEMBL4031187

CC1=NCCN=C1c1ccc(F)cc1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.41
LMNA P02545 1/20 0.40
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
NMT1 P30419 1/20 0.36
PTGS2 P35354 1/20 0.35
GRIN2B Q13224 1/20 0.34
GRM5 P41594 3/20 0.33
HSP90AB1 P08238 1/20 0.33
HSD11B1 P28845 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
TLR8 Q9NR97 1/20 0.33
GRM2 Q14416 1/20 0.32
ABL1 P00519 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
SCHEMBL2489335 0.74 LMNA (0.74) NISCHLMNAPDE3BPDE3A
SCHEMBL14039912 0.73 PDE3B (0.44) NISCHLMNAPDE3BPDE3ANMT1
SCHEMBL22039419 0.70 CHRNB4 (0.46) NISCHPDE3BPDE3ANMT1PTGS2
SCHEMBL1009901 0.69 MAOA (0.50) NISCH
SCHEMBL3019057 0.69 PTGS2 (0.44) NISCHPDE3BPDE3ANMT1PTGS2
SCHEMBL4196943 0.66 LMNA (0.42) NISCHLMNAPDE3BPDE3AGRIN2B
SCHEMBL3748937 0.66 PDE3B (0.46) PDE3BPDE3ANMT1PTGS2GRIN2B
SCHEMBL10304908 0.66 LMNA (0.46) NISCHLMNAPDE3BPDE3ANMT1
SCHEMBL1010472 0.66 MAOA (0.50) NISCH
SCHEMBL30656741 0.66 MAOA (0.50) NISCH

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625904-B2 Methods for the treatment of sleep disorders SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
EP-1460066-B1 Piperazine compounds as Tachykinins inhibitors GLAXO GROUP LTD (GB) 2009-07-01 EP disclosed
US-20080249108-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2008-10-09 US disclosed
EP-1454901-B1 Pharmaceutical compositions comprising tachykinins antagonists and a serotonin reuptake inhibitor. GLAXO GROUP LTD (GB) 2008-09-03 EP disclosed
US-7345041-B2 treatment of sleep disorders or inflammatory diseases of the bladder by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(S)-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide methansulphonate SMITHKLINE BEECHAM CORPORATION (US) 2008-03-18 US disclosed
US-RE39921-E1 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-11-13 US disclosed
US-7071196-B2 Chemical compounds SMITHKLINE BEECHAM CROPORATION (US) 2006-07-04 US disclosed
US-20060122192-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-08 US disclosed
US-6951861-B1 Chemical compounds SMITHKLINE BEECHAN CORPORATION (US) 2005-10-04 US disclosed
US-20040209893-A1 treatment of a condition mediated by a tachykinin including substance P and other neurokinins by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic Acid (3,5-bistrifuoromethyl-benzyl)-methyl-amide Hydrochloride . GLAXOSMITHKLINE LLC 2004-10-21 US disclosed
EP-1460066-A1 Piperazine compounds GLAXO GROUP LIMITED (GB) 2004-09-22 EP disclosed
EP-1454901-A1 Piperazine compounds and pharmaceutical compositions containing them. GLAXO GROUP LIMITED (GB) 2004-09-08 EP disclosed
US-20040048862-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-03-11 US disclosed
US-6642240-B2 Piperazine derivatives; antagonists of tachykinins, including substance P; 2-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)methyl amide for example SMITHKLINE BEECHAM CORPORATION 2003-11-04 US disclosed
US-20030028021-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2003-02-06 US disclosed
EP-1218359-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-07-03 EP disclosed
WO-2001025219-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2001-04-12 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 (5 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-20030028021-A1 Chemical compounds TACR1, TACR2, TAC3 NISCH 66/4885LMNA 3251/4885PDE3B 852/4885
US-20060122192-A1 Chemical compounds TACR1, TACR2, TAC3 NISCH 66/4885LMNA 3251/4885PDE3B 852/4885
US-20040048862-A1 Chemical compounds TACR1, TACR2, TAC3 NISCH 66/4885LMNA 3251/4885PDE3B 852/4885
US-20040209893-A1 treatment of a condition mediated by a tachykinin including substance P and other neurokinins by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic Acid (3,5-bistrifuoromethyl-benzyl)-methyl-amide Hydrochloride . TACR1, TACR2, NPSR1 NISCH 196/4885LMNA 2952/4885PDE3B 2356/4885
US-20080249108-A1 Chemical Compounds CYP11B2, CYP11B1, CYP21A2 NISCH 119/4885LMNA 2776/4885PDE3B 1317/4885

“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.