SCHEMBL4864337

SCHEMBL4864337

CCCCCc1ncc(C(N)=O)nc1CCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
TSHR P16473 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 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
SCHEMBL31156798 0.82 HSP90AA1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30482995 0.78 SIRT6 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28347446 0.77 HSP90AA1 (0.40) TSHRADORA3MC4RADRA1AMC3R
SCHEMBL9755023 0.75 KDM4E (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10818297 0.74 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16738333 0.74 GPR84 (0.40) ADORA3KDM4EALDH1A1MEN1LMNA
SCHEMBL3614621 0.73 KDM4E (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3924183 0.73 KDM4E (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL368929 0.73 KCNH2 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28762999 0.72 HSP90AA1 (0.56) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128673-A1 Pharmaceutical compositions comprising CB1 cannabinoid receptor antagonists and potassium channel openers for the treatment of obesity and related conditions ABBOTT PRODUCTS GMBH (DE) 2006-06-15 US claimed
EP-2468720-A1 Process for producing arylsulfur pentafluorides UBE Industries, Ltd. (JP) 2012-06-27 EP disclosed
EP-2074096-B1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-7342019-B2 5, 6-diaryl-pyrazine-2-amide derivatives as CB1 antagonists ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2007-04-26 US disclosed
CN-1620438-A 5, 6-diaryl-pyrazine-2-amide derivatives as CBI antagonists ASTRAZENECA AB (SE) 2005-05-25 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-20070093484-A1 3-Substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators CNR2, CNR1, FAAH GABRP 157/4885GABRD 514/4885GABRA1 191/4885
US-20060128673-A1 Pharmaceutical compositions comprising CB1 cannabinoid receptor antagonists and potassium channel openers for the treatment of obesity and related conditions CNR1, CNR2, KCNJ11 GABRP 388/4885GABRD 892/4885GABRA1 309/4885

“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.