SCHEMBL906053

SCHEMBL906053

C[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1OCC1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.39
AURKB Q96GD4 3/20 0.39
IRAK4 Q9NWZ3 3/20 0.38
KCNH2 Q12809 3/20 0.38
HTR2A P28223 8/20 0.37
HTR2C P28335 8/20 0.37
HTR2B P41595 6/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ACP1 P24666 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL3116407 0.92 IRAK4 (0.38) SYKAURKBIRAK4KCNH2HTR2A
SCHEMBL906007 0.86 CHRNB4 (0.53) CHRNB4CHRNA3
SCHEMBL7055867 0.86 CHRNB4 (0.53) CHRNB4CHRNA3
SCHEMBL905805 0.86 HTR2C (0.42) KCNH2HTR2AHTR2CHTR2BCHRNB4
SCHEMBL2639684 0.86 HTR2C (0.42) KCNH2HTR2AHTR2CHTR2B
SCHEMBL237951 0.86 HTR2C (0.42) KCNH2HTR2AHTR2CHTR2B
SCHEMBL6181243 0.85 CHRNB4 (0.45) KCNH2HTR2AHTR2CHTR2BCHRNB4
SCHEMBL4313537 0.85 HTR2C (0.42) KCNH2HTR2AHTR2CHTR2BCHRNB4
SCHEMBL2639295 0.85 HTR2C (0.42) KCNH2HTR2AHTR2CHTR2BCHRNB4
SCHEMBL906026 0.84 HTR2C (0.42) KCNH2HTR2AHTR2CHTR2B

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-1513831-B1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB PUBL (SE) 2010-01-06 EP claimed
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US claimed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 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
EP-1513831-B1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB PUBL (SE) 2010-01-06 EP disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
EP-1513831-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Biovitrum AB (SE) 2005-03-16 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-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 US disclosed
WO-2004000830-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2003-12-31 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 SYK 4613/4885AURKB 3919/4885IRAK4 4310/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C SYK 4613/4885AURKB 3919/4885IRAK4 4310/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C SYK 4613/4885AURKB 3919/4885IRAK4 4310/4885
US-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A SYK 4299/4885AURKB 3549/4885IRAK4 4574/4885

“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.