SCHEMBL905817

SCHEMBL905817

c1ccc(COc2nccc(N3CCNCC3)n2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.56
PLD1 Q13393 1/20 0.52
HRH3 Q9Y5N1 1/20 0.49
PIK3CA P42336 3/20 0.47
SLC6A4 P31645 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
HRH4 Q9H3N8 3/20 0.44
SORD Q00796 1/20 0.44
RXRA P19793 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL906132 0.84 HTR1A (0.53) PLD1HRH3SLC6A4CYP1A2CYP2C9
SCHEMBL906008 0.84 HTR3A (0.57) NMT1PLD1HRH3CYP1A2CYP2C9
SCHEMBL905970 0.84 HRH3 (0.46) NMT1HRH3CYP1A2HRH4RXRA
SCHEMBL6783430 0.82 HTR3A (0.47) NMT1HRH3HRH4RXRAGRIN1
SCHEMBL23384872 0.82 PLD1 (0.56) NMT1PLD1HRH3PIK3CASLC6A4
SCHEMBL30138390 0.82 PLD1 (0.56) NMT1PLD1HRH3PIK3CASLC6A4
SCHEMBL906097 0.80 HTR2C (0.52) NMT1PLD1HRH3SLC6A4ALDH1A1
SCHEMBL5585635 0.79 HTR3A (0.48) PLD1HRH3SLC6A4CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL27621036 0.79 HTR2C (0.51) NMT1PLD1HRH3SLC6A4CYP1A2
SCHEMBL26669204 0.78 HRH3 (0.56) PLD1HRH3SLC6A4CYP1A2CYP2C9

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 NMT1 1880/4885PLD1 1606/4885HRH3 269/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C NMT1 2619/4885PLD1 2749/4885HRH3 128/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A NMT1 1922/4885PLD1 1275/4885HRH3 285/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C NMT1 2619/4885PLD1 2749/4885HRH3 128/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C NMT1 2619/4885PLD1 2749/4885HRH3 128/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A NMT1 1880/4885PLD1 1606/4885HRH3 269/4885

“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.