SCHEMBL905970

SCHEMBL905970

Cc1cccc(COc2nccc(N3CCNCC3)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
HRH4 Q9H3N8 4/20 0.44
RXRA P19793 5/20 0.43
GRIN1 Q05586 5/20 0.43
GRIN2B Q13224 5/20 0.43
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE10A Q9Y233 4/20 0.41
NMT1 P30419 3/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1C Q13936 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 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
SCHEMBL906008 0.86 HTR3A (0.57) HRH3HRH4RXRAGRIN1GRIN2B
SCHEMBL905817 0.84 NMT1 (0.56) HRH3HRH4RXRAGRIN1GRIN2B
SCHEMBL906132 0.79 HTR1A (0.53) HRH3HRH4CYP1A2HSD17B10HTR3E
SCHEMBL26669204 0.78 HRH3 (0.56) HRH3HRH4CYP1A2HSD17B10HTR3E
SCHEMBL905821 0.78 HTR2C (0.61) CYP1A2HSD17B10PDE10AKCNH2CACNA1C
SCHEMBL6783430 0.77 HTR3A (0.47) HRH3HRH4RXRAGRIN1GRIN2B
SCHEMBL906199 0.77 HTR6 (0.51) HRH3CYP1A2ALDH1A1HTR3A
SCHEMBL6785522 0.75 HTR3E (0.46) HRH3HRH4NMT1HTR3EHTR3B
SCHEMBL906157 0.75 HTR1A (0.52) HRH3HRH4RXRAGRIN1GRIN2B
SCHEMBL906027 0.75 HTR2C (0.64) HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995159-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2006-02-07 US claimed
US-20050054656-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-03-10 US claimed
US-20050032809-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-02-10 US claimed
EP-1401819-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP claimed
US-20030105106-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-06-05 US claimed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 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
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
US-6995159-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2006-02-07 US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20050054656-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-03-10 US disclosed
US-20050032809-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-02-10 US disclosed
US-6825198-B2 FOR THERAPY OF SEXUAL DISORDER PFIZER INC 2004-11-30 US 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
EP-1401819-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
US-20030105106-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-06-05 US disclosed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 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 (6 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-20050032809-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HRH3 269/4885HRH4 256/4885RXRA 2522/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HRH3 128/4885HRH4 74/4885RXRA 3136/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HRH3 285/4885HRH4 261/4885RXRA 2667/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HRH3 128/4885HRH4 74/4885RXRA 3136/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HRH3 128/4885HRH4 74/4885RXRA 3136/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HRH3 269/4885HRH4 256/4885RXRA 2522/4885

“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.