SCHEMBL905767

SCHEMBL905767

C[C@@H](N)Cc1c2n(c3cnccc13)CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.56
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
DYRK1A Q13627 2/20 0.33
KCNH2 Q12809 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NFATC1 O95644 1/20 0.33
GSK3B P49841 1/20 0.33
HTR6 P50406 1/20 0.31
CYP1A2 P05177 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 1/20 0.30
KDM5A P29375 1/20 0.30
CACNA1B Q00975 1/20 0.30
ROCK2 O75116 4/20 0.30
ROCK1 Q13464 4/20 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
SCHEMBL7151987 1.00 HTR2C (0.56) HTR2CHTR2AHTR2BDYRK1AKCNH2
SCHEMBL905950 1.00 HTR2C (0.56) HTR2CHTR2AHTR2BDYRK1AKCNH2
SCHEMBL905894 0.90 HTR2C (0.59) HTR2CHTR2AHTR2BPTGDR2HTR6
SCHEMBL905864 0.90 HTR2C (0.59) HTR2CHTR2AHTR2BPTGDR2HTR6
SCHEMBL906013 0.90 HTR2C (0.59) HTR2CHTR2AHTR2BPTGDR2HTR6
Hydrochloric Acid SCHEMBL6025613 0.88 HTR2C (0.58) HTR2CHTR2AHTR2BPTGDR2HTR6
Hydrochloric Acid SCHEMBL6025610 0.88 HTR2C (0.58) HTR2CHTR2AHTR2BPTGDR2HTR6
Hydrochloric Acid SCHEMBL6025608 0.88 HTR2C (0.58) HTR2CHTR2AHTR2BPTGDR2HTR6
SCHEMBL10249290 0.76 HTR2C (0.69) HTR2CHTR2AKCNH2HTR6CYP1A2
SCHEMBL18202157 0.76 HTR2C (0.41) HTR2CHTR2ADYRK1ANFATC1GSK3B

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-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
US-20010025039-A1 Aza- indolyl derivatives for treating obesity HOFFMANN-LA ROCHE INC. 2001-09-27 US 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

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.