SCHEMBL5311352

SCHEMBL5311352

CN(C)CCn1ccc2c3ccn(Cc4ccc(F)cc4)c(=O)c3ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
HTR2C P28335 3/20 0.43
ALDH1A1 P00352 3/20 0.41
HTR2A P28223 2/20 0.41
TP53 P04637 2/20 0.40
HTR6 P50406 3/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 3/20 0.38
FAAH O00519 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
MAPK14 Q16539 1/20 0.37
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL5313939 0.93 MAPT (0.42) MAPTTHRBHTR2CALDH1A1TP53
SCHEMBL5316613 0.84 MAPT (0.47) MAPTTHRBALDH1A1TP53HTR6
SCHEMBL5313862 0.80 HTR6 (0.45) MAPTTHRBALDH1A1HTR6POLB
SCHEMBL5653705 0.72 P2RX7 (0.42) MAPTTHRBALDH1A1TP53POLB
SCHEMBL5314950 0.71 HTR2A (0.44) HTR2CHTR2AHTR6MAPK14
SCHEMBL5666085 0.71 MAPT (0.41) MAPTTHRBALDH1A1TP53POLB
Hydrochloric Acid SCHEMBL5655466 0.71 HTR2A (0.43) HTR2CHTR2AHTR6MAPK14
SCHEMBL12668470 0.70 MAPT (0.51) MAPTTHRBALDH1A1TP53POLB
SCHEMBL5653666 0.70 MAPT (0.48) MAPTTHRBALDH1A1TP53GAA
SCHEMBL1897110 0.70 PARP1 (0.56) MAPTTHRBALDH1A1TP53GAA

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 MAPT 1263/4885THRB 582/4885HTR2C 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.