SCHEMBL906175

SCHEMBL906175

Fc1cccc(CNc2nccc(N3CCNCC3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.58
HRH3 Q9Y5N1 4/20 0.53
HTR6 P50406 7/20 0.53
MAOB P27338 1/20 0.53
OGA O60502 3/20 0.48
ACHE P22303 1/20 0.47
PRMT5 O14744 1/20 0.47
HTR2A P28223 3/20 0.47
HTR7 P34969 3/20 0.47
HTR1A P08908 2/20 0.47
DRD2 P14416 2/20 0.47
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 1/20 0.46
HRH2 P25021 1/20 0.46
HTR1D P28221 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
HTR5A P47898 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
Hydrochloric Acid SCHEMBL6785108 0.99 HRH4 (0.57) HRH4HRH3HTR6MAOBOGA
SCHEMBL906030 0.86 HTR6 (0.71) HRH4HRH3HTR6MAOBOGA
SCHEMBL847908 0.85 HRH4 (0.66) HRH4HRH3HTR6MAOBOGA
Hydrochloric Acid SCHEMBL27538719 0.84 HRH4 (0.64) HRH4HRH3HTR6MAOBOGA
SCHEMBL905925 0.81 ACHE (0.74) ACHE
SCHEMBL906110 0.79 PRMT5 (0.56) HRH3HTR6PRMT5HTR2AHTR7
SCHEMBL905869 0.78 CDK9 (0.50) HRH4HTR6MAOBACHEHTR2A
SCHEMBL847524 0.78 HRH4 (0.73) HRH4HRH3HTR6OGAACHE
SCHEMBL1588977 0.78 HRH4 (0.65) HRH4HRH3HTR6MAOBOGA
Hydrochloric Acid SCHEMBL6285450 0.77 CDK9 (0.49) HRH4HTR6MAOBACHEHTR2A

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 HRH4 256/4885HRH3 269/4885HTR6 9/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HRH4 74/4885HRH3 128/4885HTR6 21/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HRH4 261/4885HRH3 285/4885HTR6 8/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HRH4 74/4885HRH3 128/4885HTR6 21/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HRH4 74/4885HRH3 128/4885HTR6 21/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HRH4 256/4885HRH3 269/4885HTR6 9/4885

“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.