SCHEMBL5229747

SCHEMBL5229747

Brc1ccc2c(c1)cc1n2CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.39
HTR2C P28335 7/20 0.39
ALDH1A1 P00352 4/20 0.36
MCL1 Q07820 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTR7 P34969 2/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2A6 P11509 1/20 0.32

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
SCHEMBL20022865 0.80 HTR2A (0.65) HTR2AHTR2CALDH1A1MCL1HTR7
Hydrochloric Acid SCHEMBL31573860 0.79 HTR2A (0.63) HTR2AHTR2CMAPTHTR6HTT
SCHEMBL30819803 0.79 HTR2A (0.39) HTR2AHTR2CALDH1A1MEN1KMT2A
SCHEMBL31573855 0.77 HTR2A (0.42) HTR2AHTR2CALDH1A1MCL1MEN1
SCHEMBL30703022 0.76 HTR2A (0.64) HTR2AHTR2CALDH1A1LMNAHTR1A
SCHEMBL18154550 0.76 MCL1 (0.41) HTR2AHTR2CALDH1A1MCL1NPC1
SCHEMBL5917403 0.75 HTR2A (0.68) HTR2AHTR2CMCL1MAPT
SCHEMBL20257503 0.75 HTR2A (0.40) HTR2AHTR2CHTR7LMNASMN1; SMN2
SCHEMBL4048826 0.75 HTR2A (0.62) HTR2AHTR2CALDH1A1MEN1KMT2A
SCHEMBL20022863 0.75 HTR2A (0.40) HTR2AHTR2CMCL1PIK3CDPIK3CA

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
CN-117069726-A Synthesis method of [1,2-a ] indole polycyclic derivative 兰州大学 2023-11-17 CN disclosed
EP-1347979-B1 INDOLE DERIVATIVES AND THEIR USE AS 5-HT2B AND 5-HT2C RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2007-08-08 EP disclosed
EP-1347979-A1 INDOLE DERIVATIVES AND THEIR USE AS 5-HT2B AND 5-HT2C RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-01 EP disclosed
US-6610685-B2 (S)-2-(6-ethoxy-2,3-dihydro-1H-3a-aza-cyclopenta(a)inden-8-yl)-1-methyl-ethylamine for example; treating diabetes; in combination with a lipase inhibitor such as orlistat HOFFMANN-LA ROCHE INC. 2003-08-26 US disclosed
US-20020160997-A1 (S)-2-(6-ethoxy-2,3-dihydro-1H-3a-aza-cyclopenta(a)inden-8-yl)-1-methyl-ethylamine for example; treating diabetes; in combination with a lipase inhibitor such as orlistat F.HOFFANN-LA ROCHE AG (CH) 2002-10-31 US disclosed
WO-2002051844-A1 INDOLE DERIVATIVES AND THEIR USE AS 5-HT2B AND 5-HT2C RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-04 WO 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-20020160997-A1 (S)-2-(6-ethoxy-2,3-dihydro-1H-3a-aza-cyclopenta(a)inden-8-yl)-1-methyl-ethylamine for example; treating diabetes; in combination with a lipase inhibitor such as orlistat PNLIP, LIPA, LPL HTR2A 585/4885HTR2C 502/4885ALDH1A1 91/4885

“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.