SCHEMBL906030

SCHEMBL906030

Clc1cccc(CNc2nccc(N3CCNCC3)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.71
MAOB P27338 2/20 0.71
HRH4 Q9H3N8 5/20 0.58
HRH3 Q9Y5N1 1/20 0.53
HTR2C P28335 3/20 0.53
HTR2A P28223 3/20 0.53
HTR2B P41595 2/20 0.53
HTR1A P08908 2/20 0.52
HTR7 P34969 2/20 0.52
CHRM4 P08173 1/20 0.52
ADRB1 P08588 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
FPR3 P25089 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
HTR1E P28566 1/20 0.52
GPR183 P32249 1/20 0.52
HRH1 P35367 1/20 0.52

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
SCHEMBL906175 0.86 HRH4 (0.58) HTR6MAOBHRH4HRH3HTR2C
SCHEMBL847908 0.85 HRH4 (0.66) HTR6MAOBHRH4HRH3HTR2C
Hydrochloric Acid SCHEMBL6785108 0.85 HRH4 (0.57) HTR6MAOBHRH4HRH3HTR2C
Hydrochloric Acid SCHEMBL27538719 0.84 HRH4 (0.64) HTR6MAOBHRH4HRH3HTR2C
SCHEMBL906071 0.81 ACHE (0.74) HTR6MAOBACHEBACE1
SCHEMBL906027 0.79 HTR2C (0.64) HTR6MAOBHTR2CHTR2AHTR2B
SCHEMBL906005 0.78 HTR2C (0.63) HTR6MAOBHRH4HTR2CHTR2A
SCHEMBL1588977 0.78 HRH4 (0.65) HTR6MAOBHRH4HRH3HTR2C
SCHEMBL847524 0.78 HRH4 (0.73) HTR6HRH4HRH3HTR2CHTR2A
SCHEMBL5883101 0.77 ACHE (0.57) HTR6MAOBHRH4HRH3ACHE

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 HTR6 9/4885MAOB 49/4885HRH4 256/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885MAOB 77/4885HRH4 74/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HTR6 8/4885MAOB 60/4885HRH4 261/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885MAOB 77/4885HRH4 74/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885MAOB 77/4885HRH4 74/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HTR6 9/4885MAOB 49/4885HRH4 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.