SCHEMBL906112

SCHEMBL906112

Fc1ccc(F)c(COc2nccc(N3CCNCC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.55
HTR2A P28223 1/20 0.55
HTR2B P41595 1/20 0.55
HTR6 P50406 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
HTR1A P08908 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
NMT1 P30419 3/20 0.43
RXRA P19793 5/20 0.42
GRIN1 Q05586 5/20 0.42
GRIN2B Q13224 5/20 0.42
PRMT5 O14744 1/20 0.42
DPP4 P27487 1/20 0.41
HRH4 Q9H3N8 3/20 0.41

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
SCHEMBL905996 0.87 HRH3 (0.44) HTR2CHTR2AHTR2BHRH3HTR1A
SCHEMBL22402421 0.84 HTR3A (0.46) HTR2CHTR2AHTR2BHRH3HTR1A
Hydrochloric Acid SCHEMBL22391929 0.83 HTR3A (0.45) HTR2CHTR2AHTR2BHTR6HRH3
SCHEMBL905995 0.82 HRH3 (0.48) HTR2CHTR2AHTR2BHTR6HRH3
SCHEMBL905764 0.82 HTR2C (0.61) HTR2CHTR2AHTR2BHTR6SLC6A4
SCHEMBL905766 0.82 HTR2C (0.61) HTR2CHTR2AHTR2BHTR6SLC6A4
SCHEMBL906110 0.81 PRMT5 (0.56) HTR2CHTR2AHTR2BHTR6HRH3
SCHEMBL906157 0.81 HTR1A (0.52) HTR6HRH3HTR1ASLC6A2SLC6A4
SCHEMBL906095 0.79 HTR3A (0.48) HTR2CHTR2AHTR2BHRH3HTR1A
SCHEMBL906145 0.78 HTR2C (0.60) HTR2CHTR2AHTR2BHTR6HTR1A

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 HTR2C 4/4885HTR2A 1/4885HTR2B 5/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HTR2C 4/4885HTR2A 2/4885HTR2B 7/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HTR2C 4/4885HTR2A 1/4885HTR2B 5/4885

“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.