SCHEMBL1276555

SCHEMBL1276555

C[C@@H](O[C@H]1CC[C@@H](C(=O)O)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.73
KCNH2 Q12809 1/20 0.63
NR1I2 O75469 1/20 0.59

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
SCHEMBL13677494 1.00 TACR1 (0.73) TACR1KCNH2NR1I2
SCHEMBL7202907 1.00 TACR1 (0.73) TACR1KCNH2NR1I2
SCHEMBL7202912 1.00 TACR1 (0.73) TACR1KCNH2NR1I2
SCHEMBL13677467 1.00 TACR1 (0.73) TACR1KCNH2NR1I2
SCHEMBL3174650 0.93 TACR1 (0.69) TACR1KCNH2
SCHEMBL5117793 0.93 TACR1 (0.69) TACR1KCNH2
SCHEMBL13677491 0.92 TACR1 (0.70) TACR1KCNH2NR1I2
SCHEMBL13677490 0.92 TACR1 (0.70) TACR1KCNH2NR1I2
SCHEMBL13677460 0.92 TACR1 (0.70) TACR1KCNH2NR1I2
SCHEMBL7198877 0.91 TACR1 (0.63) TACR1KCNH2

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 13 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
US-20090247770-A1 PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS MSD K.K. (JP) 2009-10-01 US disclosed
US-20090247770-A1 PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS MSD K.K. (JP) 2009-10-01 US disclosed
WO-2008021029-A2 PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-02-21 WO 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
US-7196113-B2 Lactam tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-20050282886-A1 Lactam tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2005-12-22 US disclosed
EP-1322596-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2003-07-02 EP disclosed
US-6479518-B2 PSYCHOLOGICAL DISORDERS MERCK & CO., INC. 2002-11-12 US disclosed
US-20020042431-A1 Zwitterionic tachykinin receptor antagonists MERCK & CO., INC. 2002-04-11 US disclosed
WO-2002024629-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-03-28 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 (4 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-20020042431-A1 Zwitterionic tachykinin receptor antagonists NPY5R, NPY1R, NPY2R TACR1 11/4885KCNH2 263/4885NR1I2 1812/4885
US-20090247770-A1 PROCESS FOR MAKING LACTAM TACHYKININ RECEPTOR ANTAGONISTS TACR1, TACR2, NPSR1 TACR1 1/4885KCNH2 239/4885NR1I2 1356/4885
US-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MME, UTS2R, BPHL TACR1 7/4885KCNH2 1764/4885NR1I2 2118/4885
US-20050282886-A1 Lactam tachykinin receptor antagonists TACR1, TACR2, NPSR1 TACR1 1/4885KCNH2 254/4885NR1I2 2204/4885

“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.