SCHEMBL905841

SCHEMBL905841

C[CH]C(N)n1nc(C)c2ccc(OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.40
MAOA P21397 3/20 0.40
ALDH1A1 P00352 3/20 0.37
HASPIN Q8TF76 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PIK3CD O00329 1/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ACHE P22303 2/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL5678098 0.74 DYRK1A (0.38) DYRK1AMAOAALDH1A1HTR2AHTR2C
SCHEMBL905694 0.74 ADORA2A (0.33)
SCHEMBL13805712 0.73 DYRK1A (0.41) DYRK1AMAOAALDH1A1HASPINHTR2A
SCHEMBL12347982 0.72 ADORA2A (0.55) DYRK1AMAOAALDH1A1HASPINHTR2A
SCHEMBL905840 0.72 HTR2C (0.58) DYRK1AMAOAHASPINHTR2AHTR2C
SCHEMBL905952 0.69 HTR2A (0.35) HTR2AHTR2CHTR2B
Fumaric Acid SCHEMBL6364117 0.67 HTR2C (0.48) DYRK1AHTR2AHTR2CHTR2B
Fumaric Acid SCHEMBL6364123 0.67 HTR2C (0.48) DYRK1AHTR2AHTR2CHTR2B
Fumaric Acid SCHEMBL5678095 0.67 HTR2C (0.48) DYRK1AHTR2AHTR2CHTR2B
Fumaric Acid SCHEMBL5678109 0.67 HTR2C (0.48) DYRK1AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129078-B1 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RES LTD (GB) 2006-03-15 EP claimed
US-6552062-B1 For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity VERNALIS RESEARCH LIMITED (GB) 2003-04-22 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-1129078-B1 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RES LTD (GB) 2006-03-15 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-6552062-B1 For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity VERNALIS RESEARCH LIMITED (GB) 2003-04-22 US 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 (3 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 DYRK1A 1891/4885MAOA 72/4885ALDH1A1 527/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C DYRK1A 1891/4885MAOA 72/4885ALDH1A1 527/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C DYRK1A 1891/4885MAOA 72/4885ALDH1A1 527/4885

“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.