SCHEMBL906019

SCHEMBL906019

CC(Oc1nccc(N2CCNCC2)n1)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.45
CYP3A4 P08684 1/20 0.44
PLK1 P53350 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
HTR2C P28335 7/20 0.41
HTR2A P28223 4/20 0.41
HTR2B P41595 4/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
PLD1 Q13393 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADRB1 P08588 1/20 0.40
NMT1 P30419 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
SCHEMBL906044 0.80 HTR6 (0.50) HRH4CYP3A4HRH3HTR3EHTR3B
SCHEMBL5884197 0.80 ACHE (0.44) CYP3A4PLK1ALDH1A1HTR2CHTR2A
SCHEMBL905965 0.78 HTR2C (0.64) HRH4HRH3HTR2CHTR2AHTR1A
SCHEMBL906097 0.75 HTR2C (0.52) HRH3HTR3EHTR3BALDH1A1HTR3A
Hydrochloric Acid SCHEMBL27621036 0.74 HTR2C (0.51) HRH3HTR3EHTR3BALDH1A1HTR3A
SCHEMBL26669204 0.73 HRH3 (0.56) HRH4CYP3A4HRH3HTR3EHTR3B
SCHEMBL9368732 0.73 HRH3 (0.59) HRH4CYP3A4HRH3HTR3EHTR3B
Hydrochloric Acid SCHEMBL15106704 0.72 HRH3 (0.58) HRH4CYP3A4HRH3HTR3EHTR3B
Hydrochloric Acid SCHEMBL17580670 0.72 HRH3 (0.58) HRH4CYP3A4HRH3HTR3EHTR3B
SCHEMBL3266698 0.71 HRH3 (0.54) HRH4CYP3A4HRH3HTR3EHTR3B

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 256/4885CYP3A4 1391/4885PLK1 4509/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HRH4 74/4885CYP3A4 3148/4885PLK1 3121/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HRH4 261/4885CYP3A4 1329/4885PLK1 4483/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HRH4 74/4885CYP3A4 3148/4885PLK1 3121/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HRH4 74/4885CYP3A4 3148/4885PLK1 3121/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HRH4 256/4885CYP3A4 1391/4885PLK1 4509/4885

“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.