SCHEMBL5314950

SCHEMBL5314950

CN(C)CCn1ccc2ccc3c(=O)n(Cc4ccccc4)ccc3c21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
EGLN1 Q9GZT9 8/20 0.43
GRM2 Q14416 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
DHPS P49366 1/20 0.41
HTR1D P28221 1/20 0.40
HTR6 P50406 3/20 0.40
BRD4 O60885 1/20 0.39
MAPK14 Q16539 1/20 0.38

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
Hydrochloric Acid SCHEMBL5655466 0.99 HTR2A (0.43) HTR2AHTR2CEGLN1GRM2TDP1
SCHEMBL5314553 0.84 DHPS (0.44) EGLN1GRM2DHPSBRD4MAPK14
Hydrochloric Acid SCHEMBL5656624 0.83 DHPS (0.43) EGLN1GRM2DHPSBRD4MAPK14
SCHEMBL5654201 0.74 EGLN1 (0.47) EGLN1HTR6
SCHEMBL5311352 0.71 MAPT (0.44) HTR2AHTR2CHTR6MAPK14
SCHEMBL5332356 0.71 GRM2 (0.44) HTR2AHTR2CGRM2
SCHEMBL29809414 0.70 ACHE (0.59) EGLN1DHPSMAPK14
SCHEMBL1757848 0.70 ACHE (0.59) EGLN1DHPSMAPK14
SCHEMBL3747700 0.69 PARP1 (0.62) HTR2AHTR2CGRM2TDP1HTR6
SCHEMBL13591316 0.69 POLB (0.51) BRD4MAPK14

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 7 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
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
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
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 HTR2A 5/4885HTR2C 1/4885EGLN1 2592/4885

“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.