SCHEMBL5654917

SCHEMBL5654917

O=C(O)N1CCC[C@H]1Cn1ccc2c3ccn(Cc4ccc(F)cc4)c(=O)c3ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.43
CNR1 P21554 4/20 0.43
FAAH O00519 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH3 Q9Y5N1 3/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL14515074 0.86 IL1B (0.41) CNR2CNR1FAAHALDH1A1KDM4E
SCHEMBL5653705 0.78 P2RX7 (0.42) CNR2CNR1FAAHALDH1A1KDM4E
SCHEMBL1590092 0.75 PARP1 (0.54) ALDH1A1KDM4EHRH3SMN1; SMN2
SCHEMBL27744072 0.75 PARP1 (0.54) ALDH1A1KDM4EHRH3SMN1; SMN2
SCHEMBL5313862 0.75 HTR6 (0.45) CNR2CNR1FAAHALDH1A1CYP3A4
SCHEMBL5316613 0.72 MAPT (0.47) CNR2CNR1FAAHALDH1A1KDM4E
SCHEMBL5311352 0.69 MAPT (0.44) CNR2CNR1FAAHALDH1A1KDM4E
SCHEMBL15668140 0.69 SMN1; SMN2 (0.46) ALDH1A1KDM4ETHRBSMN1; SMN2
SCHEMBL20765887 0.68 ALDH1A1 (0.51) ALDH1A1KDM4EHRH3THRBLMNA
SCHEMBL20765958 0.68 ALDH1A1 (0.51) ALDH1A1KDM4EHRH3THRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CNR2 28/4885CNR1 42/4885FAAH 92/4885

“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.