SCHEMBL905848

SCHEMBL905848

COCCOc1ccc2c(c1)c(C[C@H](C)N)c1n2CCC1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.78
HTR6 P50406 1/20 0.47
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
HRH3 Q9Y5N1 2/20 0.34
PARP1 P09874 1/20 0.34
HTR1B P28222 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
ACHE P22303 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
Hydrochloric Acid SCHEMBL5233162 0.99 HTR2C (0.77) HTR2CHTR6MTNR1AMTNR1BHRH3
SCHEMBL5234060 0.97 HTR2C (0.74) HTR2CHTR6MTNR1AMTNR1BHRH3
SCHEMBL5237243 0.95 HTR2C (0.77) HTR2CHTR6MTNR1AMTNR1BHRH3
SCHEMBL905797 0.95 HTR2C (0.77) HTR2CHTR6MTNR1AMTNR1BHRH3
Hydrochloric Acid SCHEMBL5240019 0.94 HTR2C (0.75) HTR2CHTR6MTNR1AMTNR1BHRH3
Hydrochloric Acid SCHEMBL5231123 0.94 HTR2C (0.75) HTR2CHTR6MTNR1AMTNR1BHRH3
SCHEMBL5234288 0.93 HTR2C (0.71) HTR2CHTR6MTNR1AMTNR1BHRH3
SCHEMBL5233126 0.89 HTR2C (0.82) HTR2CHTR6MTNR1AMTNR1BHTR1B
SCHEMBL905774 0.89 HTR2C (0.78) HTR2CHTR6MTNR1AMTNR1BHRH3
SCHEMBL905772 0.89 HTR2C (0.78) HTR2CHTR6MTNR1AMTNR1BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347979-B1 INDOLE DERIVATIVES AND THEIR USE AS 5-HT2B AND 5-HT2C RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2007-08-08 EP claimed
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 claimed
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 claimed
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 claimed
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 claimed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US 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
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US 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 (4 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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR6 21/4885MTNR1A 67/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR6 21/4885MTNR1A 67/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR6 21/4885MTNR1A 67/4885
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 HTR2C 502/4885HTR6 421/4885MTNR1A 320/4885

“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.