SCHEMBL906007

SCHEMBL906007

C[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1OC[C@@H]1CCCN1C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.53
CHRNA3 P32297 4/20 0.53
CHRNB1 P11230 2/20 0.48
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
CHRNB3 Q05901 2/20 0.48
CHRNA1 P02708 1/20 0.41
CHRNA7 P36544 1/20 0.41
KRAS P01116 1/20 0.41

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
SCHEMBL7055867 1.00 CHRNB4 (0.53) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL3111253 0.94 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
Trifluoroacetic Acid SCHEMBL3114765 0.92 CHRNA3 (0.46) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
Trifluoroacetic Acid SCHEMBL3121822 0.86 CHRNA3 (0.41) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL906053 0.86 SYK (0.39) CHRNB4CHRNA3
SCHEMBL906026 0.84 HTR2C (0.42) CHRNB2CHRNA4
SCHEMBL5585669 0.84 KRAS (0.39) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL237951 0.84 HTR2C (0.42)
SCHEMBL2639684 0.84 HTR2C (0.42)
SCHEMBL905805 0.84 HTR2C (0.42) CHRNB4CHRNA3

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 13 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
EP-1513831-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Biovitrum AB (SE) 2005-03-16 EP claimed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 US claimed
WO-2004000830-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2003-12-31 WO 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
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

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-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C CHRNB4 233/4885CHRNA3 178/4885CHRNB1 191/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C CHRNB4 233/4885CHRNA3 178/4885CHRNB1 191/4885
US-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A CHRNB4 115/4885CHRNA3 182/4885CHRNB1 157/4885

“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.