SCHEMBL906012

SCHEMBL906012

Cc1cc(N2CCNCC2)nc(OCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.51
SLC6A2 P23975 3/20 0.50
SLC6A3 Q01959 3/20 0.50
HTR1A P08908 2/20 0.50
SLC6A4 P31645 1/20 0.50
ADRB1 P08588 3/20 0.49
NCF1 P14598 2/20 0.49
HTR2C P28335 5/20 0.47
PRMT5 O14744 1/20 0.47
ADRB2 P07550 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR2A P28223 2/20 0.45
HTR2B P41595 2/20 0.45

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
SCHEMBL906132 0.81 HTR1A (0.53) HTR6SLC6A2SLC6A3HTR1ASLC6A4
SCHEMBL8669437 0.78 ALDH1A1 (0.55) HTTMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL905954 0.75 KDM4E (0.51) HTR6SLC6A2SLC6A3HTR1ASLC6A4
SCHEMBL3104344 0.74 HTR2C (0.57) HTR6SLC6A2SLC6A3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL31061265 0.73 HTR2C (0.58) HTR6SLC6A2SLC6A3HTR1ASLC6A4
SCHEMBL6100255 0.72 HTR2C (0.53) HTR6HTR1AADRB1NCF1HTR2C
SCHEMBL5585318 0.72 HTR2A (0.45) HTR6SLC6A2SLC6A3HTR1ASLC6A4
SCHEMBL1564355 0.72 ALDH1A1 (0.64) HTR6HRH4HTTMEN1ALDH1A1
SCHEMBL24265806 0.72 HTR1A (0.52) HTR6SLC6A2SLC6A3HTR1ASLC6A4
SCHEMBL906114 0.72 HTR2C (0.74) HTR6SLC6A2SLC6A3HTR1ASLC6A4

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 17 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
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 9/4885SLC6A2 67/4885SLC6A3 173/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885SLC6A2 36/4885SLC6A3 122/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HTR6 8/4885SLC6A2 74/4885SLC6A3 175/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885SLC6A2 36/4885SLC6A3 122/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR6 21/4885SLC6A2 36/4885SLC6A3 122/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HTR6 9/4885SLC6A2 67/4885SLC6A3 173/4885

“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.