SCHEMBL5332356

SCHEMBL5332356

NCCn1ccc2ccc3c(=O)n(Cc4ccccc4Cl)ccc3c21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAOB P27338 1/20 0.40
PTGER3 P43115 5/20 0.40
LMNA P02545 1/20 0.40
MAP3K14 Q99558 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 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
SCHEMBL5308823 0.86 HTT (0.45) ALDH1A1HTR2AHTR2CMAPTSMN1; SMN2
SCHEMBL5314553 0.85 DHPS (0.44) GRM2KDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5656624 0.84 DHPS (0.43) GRM2KDM4EALDH1A1LMNAMAPT
SCHEMBL5654201 0.80 EGLN1 (0.47) KDM4EALDH1A1MAOBLMNAMAPT
SCHEMBL5654278 0.79 HTR2C (0.41) HTR2AHTR2CHTR2B
SCHEMBL5314946 0.78 LOXL2 (0.43) GRM2KDM4EALDH1A1HTR2AHTR2C
SCHEMBL5311904 0.77 MAPT (0.39) LMNAMAPT
SCHEMBL5314950 0.71 HTR2A (0.44) GRM2HTR2AHTR2C
Hydrochloric Acid SCHEMBL5655466 0.70 HTR2A (0.43) GRM2HTR2AHTR2C
SCHEMBL2611316 0.67 HDAC8 (0.48) PTGER3MAPTSMN1; 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 3 patents. 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
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 GRM2 88/4885KDM4E 3935/4885ALDH1A1 1743/4885

“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.