SCHEMBL2852932

SCHEMBL2852932

NC(=O)C1C[CH]CCN1Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.47
MAOA P21397 9/20 0.46
SCN3A Q9NY46 1/20 0.43
GRM2 Q14416 1/20 0.43
GBA1 P04062 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14142405 0.87 GAA (0.46) MAOBMAOASCN3ASPHK1ALDH1A1
SCHEMBL4592233 0.86 SPHK1 (0.40) MAOBMAOASCN3ASPHK1ALDH1A1
SCHEMBL2699801 0.86 SPHK1 (0.49) MAOBMAOASCN3ASPHK1
SCHEMBL4704664 0.83 GBA1 (0.40) MAOBMAOASCN3AGBA1SPHK1
SCHEMBL6241369 0.83 HSD11B1 (0.46) MAOBMAOASCN3ASPHK1ALDH1A1
SCHEMBL2856130 0.82 MAOB (0.44) MAOBMAOASCN3ASPHK1ALDH1A1
SCHEMBL3876134 0.81 SSTR5 (0.49) MAOBMAOAGRM2
SCHEMBL9151576 0.80 MAOB (0.64) MAOBMAOASCN3AGRM2GBA1
SCHEMBL9147565 0.80 MAOB (0.64) MAOBMAOASCN3AGRM2GBA1
SCHEMBL3873985 0.79 SSTR5 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US claimed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO claimed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US 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 (3 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 MAOB 4077/4885MAOA 4250/4885SCN3A 4333/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 MAOB 3644/4885MAOA 3899/4885SCN3A 1/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 MAOB 3644/4885MAOA 3899/4885SCN3A 1/4885

“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.