SCHEMBL906157

SCHEMBL906157

Fc1cccc(COc2nccc(N3CCNCC3)n2)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.52
SLC6A2 P23975 4/20 0.52
SLC6A4 P31645 4/20 0.52
SLC6A3 Q01959 2/20 0.52
PRMT5 O14744 1/20 0.46
NMT1 P30419 5/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HTR6 P50406 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HRH4 Q9H3N8 3/20 0.41
RXRA P19793 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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 0.85 HRH3 (0.44) HTR1ASLC6A2SLC6A4SLC6A3PRMT5
SCHEMBL906112 0.81 HTR2C (0.55) HTR1ASLC6A2SLC6A4PRMT5NMT1
SCHEMBL6785522 0.81 HTR3E (0.46) SLC6A2SLC6A4NMT1HRH3HTR6
SCHEMBL906097 0.81 HTR2C (0.52) HTR1ASLC6A2SLC6A4SLC6A3NMT1
Hydrochloric Acid SCHEMBL27621036 0.80 HTR2C (0.51) SLC6A2SLC6A4SLC6A3NMT1HRH3
SCHEMBL22402421 0.80 HTR3A (0.46) HTR1APRMT5NMT1HRH3RXRA
SCHEMBL906110 0.79 PRMT5 (0.56) HTR1ASLC6A2SLC6A4PRMT5HRH3
Hydrochloric Acid SCHEMBL22391929 0.79 HTR3A (0.45) HTR1ANMT1HRH3HTR6RXRA
SCHEMBL5585603 0.78 HTR1A (0.48) HTR1ASLC6A2SLC6A4SLC6A3PRMT5
SCHEMBL906132 0.78 HTR1A (0.53) HTR1ASLC6A2SLC6A4SLC6A3PRMT5

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 HTR1A 2/4885SLC6A2 67/4885SLC6A4 26/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR1A 15/4885SLC6A2 36/4885SLC6A4 49/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HTR1A 1/4885SLC6A2 74/4885SLC6A4 27/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR1A 15/4885SLC6A2 36/4885SLC6A4 49/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR1A 15/4885SLC6A2 36/4885SLC6A4 49/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HTR1A 2/4885SLC6A2 67/4885SLC6A4 26/4885

“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.