SCHEMBL905996

SCHEMBL905996

Fc1cc(F)c(F)c(COc2nccc(N3CCNCC3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
NMT1 P30419 3/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
HRH4 Q9H3N8 3/20 0.40
RXRA P19793 5/20 0.39
GRIN1 Q05586 5/20 0.39
GRIN2B Q13224 5/20 0.39
PRMT5 O14744 1/20 0.39
ADRB1 P08588 1/20 0.39
DPP4 P27487 1/20 0.39
HTR1A P08908 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL906112 0.87 HTR2C (0.55) HRH3NMT1HTR2AHTR2CHTR2B
SCHEMBL906157 0.85 HTR1A (0.52) HRH3NMT1HRH4RXRAGRIN1
SCHEMBL905995 0.83 HRH3 (0.48) HRH3HTR2AHTR2CHTR2BHRH4
SCHEMBL22402421 0.81 HTR3A (0.46) HRH3NMT1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL22391929 0.80 HTR3A (0.45) HRH3NMT1HTR2AHTR2CHTR2B
SCHEMBL906110 0.78 PRMT5 (0.56) HRH3HTR2AHTR2CHTR2BRXRA
SCHEMBL906095 0.76 HTR3A (0.48) HRH3NMT1HTR2AHTR2CHTR2B
SCHEMBL906097 0.75 HTR2C (0.52) HRH3NMT1HTR2AHTR2CHTR2B
SCHEMBL905817 0.75 NMT1 (0.56) HRH3NMT1HTR2CHRH4RXRA
Hydrochloric Acid SCHEMBL27621036 0.74 HTR2C (0.51) HRH3NMT1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054656-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-03-10 US claimed
US-6825198-B2 FOR THERAPY OF SEXUAL DISORDER PFIZER INC 2004-11-30 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 269/4885NMT1 1880/4885HTR2A 1/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HRH3 128/4885NMT1 2619/4885HTR2A 6/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HRH3 285/4885NMT1 1922/4885HTR2A 2/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HRH3 128/4885NMT1 2619/4885HTR2A 6/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HRH3 128/4885NMT1 2619/4885HTR2A 6/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HRH3 269/4885NMT1 1880/4885HTR2A 1/4885

“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.