SCHEMBL6024550

SCHEMBL6024550

O=Cc1c2n(c3ncccc13)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ERN1 O75460 3/20 0.38
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
KDM4E B2RXH2 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
IDO1 P14902 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GSK3B P49841 1/20 0.34
MAPT P10636 3/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6025235 0.78 FBP1 (0.36) HTR2CKDM4EL3MBTL1NPC1RAB9A
SCHEMBL6025233 0.78 FBP1 (0.36) HTR2CKDM4EL3MBTL1NPC1RAB9A
SCHEMBL22554261 0.77 DDB1 (0.35) DDB1CRBNKDM4EL3MBTL1NPC1
SCHEMBL21227272 0.77 L3MBTL1 (0.39) HTR2AHTR2CDDB1CRBNKDM4E
SCHEMBL1092484 0.75 HTR2A (0.68) HTR2AHTR2CL3MBTL1MAPTLMNA
SCHEMBL19960976 0.73 DDB1 (0.33) DDB1CRBNKDM4EL3MBTL1KMT2A
SCHEMBL20080083 0.73 GSK3B (0.34) DDB1CRBNKDM4EL3MBTL1RAB9A
SCHEMBL905853 0.69 HTR2C (0.52) HTR2AHTR2C
SCHEMBL905855 0.69 HTR2C (0.52) HTR2AHTR2C
SCHEMBL13448597 0.69 PTGDR2 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274711-B1 NEW AZA-INDOLYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-05-17 EP disclosed
US-6583134-B2 Tricyclic aza-indolyl derivatives substituted with ethylamine group is useful for treating central nervous system disorder,cardiovascular disorder, gastrointestinal disorders, diabetes insipidus, and particularly useful for obesity HOFFMAN-LA ROCHE INC. 2003-06-24 US disclosed
EP-1274711-A1 NEW AZA-INDOLYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-01-15 EP disclosed
US-20010025039-A1 Aza- indolyl derivatives for treating obesity HOFFMANN-LA ROCHE INC. 2001-09-27 US disclosed
WO-2001066548-A1 NEW AZA-INDOLYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-13 WO disclosed
EP-1132389-A1 New aza-indolyl derivatives for the treatment of obesity VERNALIS RESEARCH LIMITED (GB) 2001-09-12 EP 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-20010025039-A1 Aza- indolyl derivatives for treating obesity GPR119, GIPR, INMT HTR2A 488/4885HTR2C 410/4885ERN1 2376/4885

“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.