SCHEMBL906098

SCHEMBL906098

C[C@@H]1CNCCN1c1nccnc1OCCOc1ccccc1OCCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.42
HTR2A P28223 5/20 0.42
KCNH2 Q12809 1/20 0.41
HTR2B P41595 3/20 0.39
HTR7 P34969 3/20 0.38
HTR1B P28222 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
BRD1 O95696 1/20 0.35
BRPF1 P55201 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 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
SCHEMBL237834 0.94 HTR2C (0.42) HTR2CHTR2AKCNH2HTR2BHTR7
SCHEMBL6047120 0.94 HTR2C (0.42) HTR2CHTR2AKCNH2HTR2BHTR7
SCHEMBL906031 0.89 HTR2C (0.41) HTR2CHTR2AKCNH2HTR2BHTR1B
SCHEMBL5585330 0.88 HTR2C (0.41) HTR2CHTR2AKCNH2HTR2BHTR1B
SCHEMBL906032 0.88 HTR2C (0.39) HTR2CHTR2AKCNH2HTR2BADRB2
SCHEMBL906123 0.87 HTR2C (0.39) HTR2CHTR2AKCNH2HTR2B
SCHEMBL905942 0.85 HTR2C (0.39) HTR2CHTR2AKCNH2HTR2BBRD1
SCHEMBL5585666 0.84 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BBRD1
SCHEMBL2639295 0.83 HTR2C (0.42) HTR2CHTR2AKCNH2HTR2BBRD1
SCHEMBL4313537 0.83 HTR2C (0.42) HTR2CHTR2AKCNH2HTR2BBRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HTR2C 1/4885HTR2A 6/4885KCNH2 2405/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885KCNH2 2405/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885KCNH2 2405/4885
US-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A HTR2C 7/4885HTR2A 14/4885KCNH2 1860/4885

“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.