SCHEMBL1276757

SCHEMBL1276757

O=C1CCC(Br)=C1c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 11/20 0.50
PTGS2 P35354 9/20 0.50
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HSD11B1 P28845 2/20 0.37
MAPK14 Q16539 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL10281191 0.79 PTGS1 (0.46) PTGS1PTGS2HTTALDH1A1
SCHEMBL1024205 0.76 PTGS1 (0.54) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL9941076 0.76 KIF11 (0.37) PTGS1PTGS2ALDH1A1
SCHEMBL8266257 0.72 PTGS1 (0.67) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1022376 0.72 PTGS1 (0.50) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1019980 0.69 PTGS1 (0.48) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1022946 0.69 PTGS1 (0.44) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL1021358 0.68 PTGS1 (0.43) PTGS1PTGS2HTTUSP2ALDH1A1
SCHEMBL7627881 0.68 PTGS2 (0.61) PTGS1PTGS2HTTALDH1A1
SCHEMBL1020604 0.68 PTGS1 (0.47) PTGS1PTGS2HTTUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937264-B1 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK SHARP & DOHME (US) 2011-06-08 EP disclosed
US-7893091-B2 Combination therapy for the treatment of urinary frequency, urinary urgency and urinary incontinence MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed
US-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
EP-1937264-A2 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE Merck & Co., Inc. (US) 2008-07-02 EP disclosed
WO-2007146224-A2 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK & CO., INC. (US) 2007-12-21 WO disclosed
WO-2007044296-A2 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK & CO., INC. (US) 2007-04-19 WO disclosed
US-7196113-B2 Lactam tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-03-27 US disclosed
EP-1761488-A1 LACTAM TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-03-14 EP disclosed
WO-2006002117-A1 LACTAM TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-01-05 WO disclosed
US-20050282886-A1 Lactam tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2005-12-22 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 (2 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-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MME, UTS2R, BPHL PTGS1 1013/4885PTGS2 991/4885HTT 2456/4885
US-20050282886-A1 Lactam tachykinin receptor antagonists TACR1, TACR2, NPSR1 PTGS1 294/4885PTGS2 1257/4885HTT 2342/4885

“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.