SCHEMBL905949

SCHEMBL905949

C[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1OCCN1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.43
HTR2A P28223 8/20 0.43
KCNH2 Q12809 1/20 0.41
HTR2B P41595 6/20 0.40
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LTA4H P09960 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL906026 0.95 HTR2C (0.42) HTR2CHTR2AKCNH2HTR2BTDP1
SCHEMBL237951 0.89 HTR2C (0.42) HTR2CHTR2AKCNH2HTR2BALDH1A1
SCHEMBL2639684 0.89 HTR2C (0.42) HTR2CHTR2AKCNH2HTR2BALDH1A1
SCHEMBL905805 0.89 HTR2C (0.42) HTR2CHTR2AKCNH2HTR2BHTR1A
SCHEMBL2639295 0.88 HTR2C (0.42) HTR2CHTR2AKCNH2HTR2BHTR1A
SCHEMBL4313537 0.88 HTR2C (0.42) HTR2CHTR2AKCNH2HTR2BHTR1A
SCHEMBL906101 0.86 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BKDM4E
SCHEMBL906015 0.86 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BHTR1A
SCHEMBL237834 0.86 HTR2C (0.42) HTR2CHTR2AKCNH2HTR2BHTR1A
SCHEMBL6047120 0.86 HTR2C (0.42) HTR2CHTR2AKCNH2HTR2BHTR1A

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.