SCHEMBL905857

SCHEMBL905857

C[C@H](N)Cc1c2n(c3ncccc13)CCC2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.52
PTGDR2 Q9Y5Y4 10/20 0.36
HTR2A P28223 3/20 0.33
HTR2B P41595 2/20 0.33
HRH1 P35367 2/20 0.31
KCNH2 Q12809 2/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL905855 1.00 HTR2C (0.52) HTR2CPTGDR2HTR2AHTR2BHRH1
SCHEMBL905853 1.00 HTR2C (0.52) HTR2CPTGDR2HTR2AHTR2BHRH1
Hydrochloric Acid SCHEMBL6025303 0.99 HTR2C (0.51) HTR2CPTGDR2HTR2AHTR2BHRH1
Hydrochloric Acid SCHEMBL6025297 0.99 HTR2C (0.51) HTR2CPTGDR2HTR2AHTR2BHRH1
Hydrochloric Acid SCHEMBL6025300 0.99 HTR2C (0.51) HTR2CPTGDR2HTR2AHTR2BHRH1
SCHEMBL7151987 0.75 HTR2C (0.56) HTR2CPTGDR2HTR2AHTR2BKCNH2
SCHEMBL905864 0.75 HTR2C (0.59) HTR2CPTGDR2HTR2AHTR2B
SCHEMBL905767 0.75 HTR2C (0.56) HTR2CPTGDR2HTR2AHTR2BKCNH2
SCHEMBL906013 0.75 HTR2C (0.59) HTR2CPTGDR2HTR2AHTR2B
SCHEMBL905894 0.75 HTR2C (0.59) HTR2CPTGDR2HTR2AHTR2B

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 18 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 claimed
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 claimed
EP-1274711-A1 NEW AZA-INDOLYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-01-15 EP claimed
US-20010025039-A1 Aza- indolyl derivatives for treating obesity HOFFMANN-LA ROCHE INC. 2001-09-27 US claimed
WO-2001066548-A1 NEW AZA-INDOLYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-09-13 WO claimed
EP-1132389-A1 New aza-indolyl derivatives for the treatment of obesity VERNALIS RESEARCH LIMITED (GB) 2001-09-12 EP 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-1274711-B1 NEW AZA-INDOLYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-05-17 EP disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO 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 (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-20010025039-A1 Aza- indolyl derivatives for treating obesity GPR119, GIPR, INMT HTR2C 410/4885PTGDR2 1113/4885HTR2A 488/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885PTGDR2 142/4885HTR2A 6/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885PTGDR2 142/4885HTR2A 6/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885PTGDR2 142/4885HTR2A 6/4885

“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.