SCHEMBL905995

SCHEMBL905995

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
PRMT5 O14744 2/20 0.45
HRH4 Q9H3N8 4/20 0.43
TACR1 P25103 1/20 0.43
ADRB1 P08588 2/20 0.42
HTR6 P50406 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
RXRA P19793 6/20 0.40
GRIN1 Q05586 6/20 0.40
GRIN2B Q13224 6/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
STAT6 P42226 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL906110 0.89 PRMT5 (0.56) HRH3PRMT5ADRB1HTR6CYP1A2
SCHEMBL905754 0.85 HTR2C (0.50) HRH3HRH4TACR1ADRB1HTR6
SCHEMBL905996 0.83 HRH3 (0.44) HRH3PRMT5HRH4ADRB1CYP1A2
SCHEMBL906132 0.83 HTR1A (0.53) HRH3PRMT5HRH4ADRB1HTR6
SCHEMBL906112 0.82 HTR2C (0.55) HRH3PRMT5HRH4HTR6RXRA
SCHEMBL5585635 0.81 HTR3A (0.48) HRH3PRMT5HRH4ADRB1HTR6
SCHEMBL906027 0.80 HTR2C (0.64) ADRB1HTR6HTR2AHTR2CHTR2B
SCHEMBL5585277 0.79 ADRB1 (0.54) HRH3PRMT5TACR1ADRB1HTR6
SCHEMBL906199 0.79 HTR6 (0.51) HRH3PRMT5ADRB1HTR6CYP1A2
SCHEMBL22402421 0.78 HTR3A (0.46) HRH3PRMT5ADRB1RXRAGRIN1

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 269/4885PRMT5 1733/4885HRH4 256/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HRH3 128/4885PRMT5 857/4885HRH4 74/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HRH3 285/4885PRMT5 1742/4885HRH4 261/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HRH3 128/4885PRMT5 857/4885HRH4 74/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HRH3 128/4885PRMT5 857/4885HRH4 74/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HRH3 269/4885PRMT5 1733/4885HRH4 256/4885

“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.