SCHEMBL5653705

SCHEMBL5653705

O=c1c2ccc3c(ccn3C[C@@H]3CCCN3)c2ccn1Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.42
CNR2 P34972 6/20 0.41
CNR1 P21554 4/20 0.41
FAAH O00519 1/20 0.41
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5654917 0.78 CNR2 (0.43) CNR2CNR1FAAHMAPTTHRB
SCHEMBL5313862 0.76 HTR6 (0.45) CNR2CNR1FAAHMAPTTHRB
SCHEMBL5316613 0.75 MAPT (0.47) CNR2CNR1FAAHMAPTTHRB
SCHEMBL14515074 0.73 IL1B (0.41) P2RX7CNR2CNR1FAAHALDH1A1
SCHEMBL5311352 0.72 MAPT (0.44) CNR2CNR1FAAHMAPTTHRB
SCHEMBL5313939 0.70 MAPT (0.42) CNR2CNR1FAAHMAPTTHRB
SCHEMBL5653666 0.69 MAPT (0.48) CNR2CNR1FAAHMAPTTHRB
SCHEMBL5666085 0.67 MAPT (0.41) CNR2CNR1FAAHMAPTTHRB
SCHEMBL1897110 0.66 PARP1 (0.56) CNR2MAPTTHRBALDH1A1KDM4E
Tert-Butyl Formate SCHEMBL27765433 0.65 P2RX7 (0.47) P2RX7ALDH1A1KDM4ETSHRSMN1; SMN2

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 claimed

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 P2RX7 202/4885CNR2 28/4885CNR1 42/4885

“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.