SCHEMBL1276268

SCHEMBL1276268

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
NOTUM Q6P988 1/20 0.41
KDM1A O60341 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC9A1 P19634 1/20 0.40
HSD11B1 P28845 4/20 0.38
PAX8 Q06710 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
PTGS2 P35354 1/20 0.36
HTT P42858 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TACR1 P25103 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13677469 1.00 GRM2 (0.41) GRM2GRM3NOTUMKDM1ASMN1; SMN2
SCHEMBL5214075 1.00 GRM2 (0.41) GRM2GRM3NOTUMKDM1ASMN1; SMN2
SCHEMBL5140866 1.00 GRM2 (0.41) GRM2GRM3NOTUMKDM1ASMN1; SMN2
SCHEMBL13677528 1.00 GRM2 (0.41) GRM2GRM3NOTUMKDM1ASMN1; SMN2
SCHEMBL6493477 1.00 GRM2 (0.41) GRM2GRM3NOTUMKDM1ASMN1; SMN2
SCHEMBL5219892 1.00 GRM2 (0.41) GRM2GRM3NOTUMKDM1ASMN1; SMN2
SCHEMBL5215940 1.00 GRM2 (0.41) GRM2GRM3NOTUMKDM1ASMN1; SMN2
SCHEMBL5213492 1.00 GRM2 (0.41) GRM2GRM3NOTUMKDM1ASMN1; SMN2
SCHEMBL2893742 0.89 NOTUM (0.41) GRM2GRM3NOTUMKDM1ASMN1; SMN2
SCHEMBL2887774 0.89 NOTUM (0.41) GRM2GRM3NOTUMKDM1ASMN1; SMN2

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 16 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-1322596-B1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-08-15 EP 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
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
US-5929094-A NOVEL 3-((SUBSTITUTED) HETEROCYCLE),6-(SUBSTITUTED PHENYL)-1-OXASPIRO(4.4)NONANE DERIVATIVES; ANTAGONIZING THE EFFECT OF SUBSTANCE P BY ADMINISTERING TO BLOCK NEUROKININ-1 RECEPTORS; TREATING INFLAMMATION, MIGRAINE, EMESIS AND ASTHMA MERCK & CO., INC. (US) 1999-07-27 US disclosed
US-5877191-A ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS MERCK & CO., INC. (US) 1999-03-02 US disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
US-5750549-A ANTIINFLAMMATORY AGENTS OR ANALGESICS MERCK & CO., INC. (US) 1998-05-12 US disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 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 (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-20020042431-A1 Zwitterionic tachykinin receptor antagonists NPY5R, NPY1R, NPY2R GRM2 205/4885GRM3 105/4885NOTUM 3792/4885
US-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MME, UTS2R, BPHL GRM2 2790/4885GRM3 2465/4885NOTUM 1499/4885
US-20050282886-A1 Lactam tachykinin receptor antagonists TACR1, TACR2, NPSR1 GRM2 1047/4885GRM3 778/4885NOTUM 2848/4885

“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.