SCHEMBL5313862

SCHEMBL5313862

O=c1c2ccc3c(ccn3CCN3CCCC3)c2ccn1Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.45
CACNA1G O43497 2/20 0.44
CACNB4 O00305 1/20 0.44
CACNA1A O00555 1/20 0.44
CACNG3 O60359 1/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNB3 P54284 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNG7 P62955 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNB1 Q02641 1/20 0.44
CACNG1 Q06432 1/20 0.44
CACNB2 Q08289 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
CACNA1E Q15878 1/20 0.44
CACNA2D4 Q7Z3S7 1/20 0.44
CACNA2D3 Q8IZS8 1/20 0.44

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
SCHEMBL5316613 0.83 MAPT (0.47) HTR6MAPTTHRBALDH1A1FAAH
SCHEMBL5311352 0.80 MAPT (0.44) HTR6MAPTTHRBALDH1A1FAAH
SCHEMBL5313939 0.78 MAPT (0.42) HTR6MAPTTHRBALDH1A1FAAH
SCHEMBL5653705 0.76 P2RX7 (0.42) MAPTTHRBALDH1A1CYP3A4CYP2C19
SCHEMBL5654917 0.75 CNR2 (0.43) MAPTTHRBALDH1A1CYP3A4CYP2C19
SCHEMBL5666085 0.70 MAPT (0.41) MAPTTHRBALDH1A1FAAHCNR1
SCHEMBL14515074 0.70 IL1B (0.41) HTR6ALDH1A1CYP3A4CYP2C19HTR7
SCHEMBL5653666 0.69 MAPT (0.48) MAPTTHRBALDH1A1FAAHCNR1
SCHEMBL1897110 0.69 PARP1 (0.56) MAPTTHRBALDH1A1CNR2
SCHEMBL1893762 0.67 MAPT (0.51) MAPTTHRBALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007053353-A2 PYRROLO[2,3-F] AND [3,2-F]ISOQUINOLINONE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-05-10 WO claimed
US-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 US claimed
WO-2007053353-A2 PYRROLO[2,3-F] AND [3,2-F]ISOQUINOLINONE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-05-10 WO disclosed
US-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 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 (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-20070099912-A1 Pyrrolo[2,3-F] and [3,2-F]Isoquinolinone derivatives as 5-hydroxytryptamine-6 ligands HTR2C, HTR5A, HTR6 HTR6 3/4885CACNA1G 866/4885CACNB4 1357/4885

“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.