SCHEMBL906013

SCHEMBL906013

C[C@@H](N)Cc1c2n(c3ccncc13)CCC2

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.59
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
HTR6 P50406 1/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
USP14 P54578 1/20 0.30

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
SCHEMBL905864 1.00 HTR2C (0.59) HTR2CHTR2AHTR2BPTGDR2HTR6
SCHEMBL905894 1.00 HTR2C (0.59) HTR2CHTR2AHTR2BPTGDR2HTR6
Hydrochloric Acid SCHEMBL6025608 0.99 HTR2C (0.58) HTR2CHTR2AHTR2BPTGDR2HTR6
Hydrochloric Acid SCHEMBL6025610 0.99 HTR2C (0.58) HTR2CHTR2AHTR2BPTGDR2HTR6
Hydrochloric Acid SCHEMBL6025613 0.99 HTR2C (0.58) HTR2CHTR2AHTR2BPTGDR2HTR6
SCHEMBL905950 0.90 HTR2C (0.56) HTR2CHTR2AHTR2BPTGDR2HTR6
SCHEMBL7151987 0.90 HTR2C (0.56) HTR2CHTR2AHTR2BPTGDR2HTR6
SCHEMBL905767 0.90 HTR2C (0.56) HTR2CHTR2AHTR2BPTGDR2HTR6
SCHEMBL6025146 0.81 HTR2C (0.39) HTR2CHTR2APTGDR2HTR6GAA
SCHEMBL10249290 0.79 HTR2C (0.69) HTR2CHTR2AHTR6GAAMAPK1

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 410/4885HTR2A 488/4885HTR2B 470/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885

“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.