Sugi Predict

Sugi Predict / Compounds / SCHEMBL3318682

SCHEMBL3318682

SCHEMBL3318682

[CH2]Cc1ccc(C)cc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.38
▸ NFE2L2 Q16236 2/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ ACHE P22303 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2A6 P11509 2/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ HSP90B1 P14625 3/20 0.34
▸ TRAP1 Q12931 3/20 0.34
▸ HSP90AA1 P07900 2/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ AGXT P21549 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
SCHEMBL13932536 0.81 AMY1A (0.42) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL18590775 0.81 TAAR1 (0.45) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL10285184 0.79 TAAR1 (0.39) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL469174 0.79 P2RX7 (0.40) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL1354248 0.77 TAAR1 (0.38) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL17351838 0.77 IDO1 (0.41) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL10889321 0.77 KMT2A (0.43) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL22754160 0.77 TAAR1 (0.38) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL646972 0.77 TAAR1 (0.38) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL30302974 0.77 MAPK1 (0.43) TAAR1NFE2L2P2RX7ACHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858641-B2 melanocortin-4 receptor (MC4-R) agonists such as (3R,5S)-N-(2-{2-[2-fluoro-4-(methyloxy)phenyl]ethyl}-1-oxo-1,2-dihydroisoquinolin-6-yl)-3,5-dimethyl-N'-[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]piperazine-1-carboximidamide, used for the treatment of obesity or diabetes NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-28 — — US claimed
US-7858631-B2 Substituted pyrido [2,3-d] pyrimidinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-28 — — US claimed
EP-1551834-B1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-25 — — EP claimed
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 — — US claimed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 — — US claimed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 — — US claimed
EP-1686996-A4 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 — — EP claimed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 — — US claimed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 — — US claimed
JP-2007511612-A — — 2007-05-10 — — JP claimed
WO-2005051391-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2005-06-09 — — WO claimed
US-20050124652-A1 Guanidino compounds BOYCE RUSTUM (US) 2005-06-09 — — US claimed
US-20050059662-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2005-03-17 — — US claimed
WO-2004112793-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-12-29 — — WO claimed
EP-1478626-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2004-11-24 — — EP claimed
US-20040019049-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2004-01-29 — — US claimed
WO-2003099818-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS CHIRON CORPORATION (US) 2003-12-04 — — WO claimed
US-6638927-B2 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl) -ethyl)-benzamide for example CHIRON CORPORATION 2003-10-28 — — US claimed
US-20030195187-A1 Guanidino compounds CHIRON CORPORATION 2003-10-16 — — US claimed
WO-2003066597-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2003-08-14 — — WO claimed

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-20050059662-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R TAAR1 1129/4885NFE2L2 4097/4885P2RX7 399/4885
US-20030195187-A1 Guanidino compounds MC4R, MC2R, GPR4 TAAR1 665/4885NFE2L2 4220/4885P2RX7 677/4885
US-20040019049-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R TAAR1 836/4885NFE2L2 4233/4885P2RX7 354/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 TAAR1 3587/4885NFE2L2 1307/4885P2RX7 327/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R TAAR1 1380/4885NFE2L2 4295/4885P2RX7 516/4885
US-20050124652-A1 Guanidino compounds MC4R, MC2R, GPR4 TAAR1 665/4885NFE2L2 4220/4885P2RX7 677/4885

“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.