SCHEMBL5030129

SCHEMBL5030129

COc1c(C(=O)NCC(=O)N(C)CC(C)C)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.38
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CTSL P07711 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.30
OPRK1 P41145 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHEK1 O14757 1/20 0.30
CCNA2 P20248 1/20 0.30

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
SCHEMBL5031119 0.91 MAOA (0.39) MAOAMAOBDRD2DRD4DRD3
SCHEMBL5029998 0.90 OPRK1 (0.34) MAOAMAOBNOS3NOS1NOS2
SCHEMBL4144231 0.90 MAOA (0.35) MAOAMAOBDRD2DRD4DRD3
SCHEMBL4144221 0.90 MAOA (0.35) MAOAMAOBDRD2DRD4DRD3
SCHEMBL5032404 0.89 MAOA (0.32) MAOAMAOBDRD2DRD4DRD3
SCHEMBL4153624 0.86 MAOA (0.38) MAOAMAOBDRD2DRD4DRD3
SCHEMBL4153614 0.86 MAOA (0.38) MAOAMAOBDRD2DRD4DRD3
SCHEMBL13927848 0.85 DRD3 (0.35) DRD2DRD4DRD3CTSLMAPT
SCHEMBL4139682 0.85 DRD3 (0.35) DRD2DRD4DRD3CTSLMAPT
SCHEMBL4148210 0.84 CHEK1 (0.35) DRD2DRD4DRD3CTSLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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 (1 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B PYGL 3130/4885MAOA 2624/4885MAOB 2177/4885

“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.