Sugi Predict

Sugi Predict / Compounds / SCHEMBL2807078

SCHEMBL2807078

SCHEMBL2807078

N#Cc1cccc(COc2ccc3c(c2)C(N)CCC3)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.58
▸ MAOA P21397 4/20 0.58
▸ GRM5 P41594 1/20 0.51
▸ KCNH2 Q12809 1/20 0.48
▸ FFAR1 O14842 1/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46
▸ HTR6 P50406 1/20 0.44
▸ ALOX5AP P20292 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ ACHE P22303 2/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ GPR84 Q9NQS5 1/20 0.42
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
Hydrochloric Acid SCHEMBL2804511 0.99 MAOB (0.57) MAOBMAOAGRM5KCNH2FFAR1
SCHEMBL7182343 0.77 ACHE (0.48) MAOBMAOAACHENPC1RAB9A
SCHEMBL6141623 0.77 CYP11B1 (0.49) HTR6ACHELMNA
SCHEMBL7391019 0.76 MAOB (0.49) MAOBMAOAGRM5KCNH2FFAR1
SCHEMBL2802943 0.76 MAOB (0.49) MAOBMAOAGRM5KCNH2FFAR1
SCHEMBL3101125 0.75 HRH3 (0.72) MAOBMAOAGRM5GPR84
SCHEMBL22874523 0.73 MAOB (0.62) MAOBMAOAGRM5KCNH2FFAR1
SCHEMBL30199275 0.73 MAOB (0.58) MAOBMAOAGRM5KCNH2FFAR1
SCHEMBL29097855 0.73 MAOB (0.58) MAOBMAOAGRM5KCNH2FFAR1
SCHEMBL7397683 0.72 MAOB (0.50) MAOBMAOAGRM5KCNH2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 — — 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 (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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 MAOB 463/4885MAOA 643/4885GRM5 672/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 MAOB 404/4885MAOA 530/4885GRM5 586/4885

“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.