SCHEMBL906133

SCHEMBL906133

C[CH][C@@H](N)n1c2c(c3cc(F)ccc31)CCC2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.41
BCHE P06276 4/20 0.39
HTR6 P50406 7/20 0.36
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ACHE P22303 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
HRH1 P35367 1/20 0.33

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
SCHEMBL906064 0.81 CA1 (0.46) BCHEHTR6HRH1
SCHEMBL905719 0.81 CA1 (0.46) BCHEHTR6HRH1
SCHEMBL6628062 0.78 HTR6 (0.32) HTR6
SCHEMBL905852 0.74 KDM4E (0.44) BCHEHTR6ACHEGRIN1GRIN2A
SCHEMBL7481438 0.74 KDM4E (0.44) BCHEHTR6ACHEGRIN1GRIN2A
SCHEMBL906131 0.74 BCHE (0.53) PTGDR2BCHEHTR6HRH1
SCHEMBL13877233 0.71 ALOX5 (0.65) BCHEHTR6ALOX5PTGS1PTGS2
SCHEMBL834603 0.71 ALOX5 (0.42) PTGDR2BCHEHTR6ALOX5PTGS1
SCHEMBL905981 0.68 GRIN1 (0.35) BCHEHTR6ACHEGRIN1GRIN2A
SCHEMBL835293 0.68 ALOX5 (0.42) PTGDR2BCHEHTR6ALOX5PTGS1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP 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
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP 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-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP disclosed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US 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 (3 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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C PTGDR2 142/4885BCHE 1192/4885HTR6 21/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C PTGDR2 142/4885BCHE 1192/4885HTR6 21/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C PTGDR2 142/4885BCHE 1192/4885HTR6 21/4885

“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.