SCHEMBL2486149

SCHEMBL2486149

Cc1cc(F)ccc1[C@@H]1CC(=O)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.41
MTNR1B P49286 1/20 0.38

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
SCHEMBL2484442 1.00 TACR1 (0.41) TACR1MTNR1B
SCHEMBL2484439 1.00 TACR1 (0.41) TACR1MTNR1B
SCHEMBL5501304 0.89 TACR1 (0.41) TACR1
SCHEMBL5414527 0.85 TACR1 (0.40) TACR1MTNR1B
SCHEMBL5413960 0.85 TACR1 (0.40) TACR1MTNR1B
SCHEMBL5413955 0.85 TACR1 (0.40) TACR1MTNR1B
SCHEMBL5413950 0.85 TACR1 (0.40) TACR1MTNR1B
SCHEMBL5413965 0.85 TACR1 (0.40) TACR1MTNR1B
SCHEMBL3163726 0.84 GHSR (0.41) TACR1
SCHEMBL3163732 0.84 GHSR (0.41) TACR1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117562-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LTD (GB) 2011-10-26 EP disclosed
EP-2117535-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LTD (GB) 2011-10-26 EP disclosed
CN-101959513-A Novel pharmaceutical composition GLAXO GROUP LTD 2011-01-26 CN disclosed
US-20100317666-A1 Composition Comprising An NK-1 Receptor Antagonist And An SSRI For The Treatment Of Tinnitus And Hearing Loss GLAXO GROUP LIMITED 2010-12-16 US disclosed
US-20100152446-A1 Piperidine Derivatives NERRE THERAPEUTICS LIMITED (GB) 2010-06-17 US disclosed
EP-1921064-B1 Pharmaceutical composition GLAXO GROUP LTD (GB) 2010-05-19 EP disclosed
US-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2010-04-29 US disclosed
US-20100081667-A1 Chemical Compounds ALVARO GIUSEPPE 2010-04-01 US disclosed
CN-101641102-A Pharmaceutical compositions comprising NK1 receptor antagonists and sodium channel blockers GLAXO GROUP LTD GB 2010-02-03 CN disclosed
CN-101641099-A Pharmaceutical composition comprising 3, 5-diamino-6- (2, 3-dichlorophenyl) -1, 2, 4-triazine or R (-) -2, 4-diamino-5- (2, 3-dichlorophenyl) -6-fluoromethylpyrimidine and NK1 GLAXO GROUP LTD GB 2010-02-03 CN disclosed
EP-1524266-A1 Pharmaceutical composition GLAXO GROUP LIMITED (GB) 2005-04-20 EP disclosed
EP-1472256-A1 PIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-11-03 EP disclosed
EP-1326832-B1 CHEMICAL COMPOUNDS GLAXO GROUP LTD (GB) 2004-10-06 EP disclosed
US-20040127485-A1 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists GLAXO GROUP LIMITED (GB) 2004-07-01 US disclosed
US-20040014770-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-01-22 US disclosed
EP-1377558-A1 [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-07 EP disclosed
WO-2003066635-A1 PIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-14 WO disclosed
EP-1326832-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2003-07-16 EP disclosed
WO-2002081457-A1 `1,4!-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 WO disclosed
WO-2002032867-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-04-25 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-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 KCNJ2, SCN5A, GRIK5 TACR1 19/4885MTNR1B 359/4885
US-20040127485-A1 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists NPY1R, CRHR1, GRIN1 TACR1 24/4885MTNR1B 88/4885
US-20040014770-A1 Chemical compounds HCK, KCNK4, GRK4 TACR1 188/4885MTNR1B 646/4885
US-20100152446-A1 Piperidine Derivatives NPSR1, NPY5R, NPY4R TACR1 5/4885MTNR1B 220/4885
US-20100081667-A1 Chemical Compounds OPRL1, OPRK1, OPRM1 TACR1 53/4885MTNR1B 21/4885
US-20100317666-A1 Composition Comprising An NK-1 Receptor Antagonist And An SSRI For The Treatment Of Tinnitus And Hearing Loss HTR1A, TPH1, HTR5A TACR1 7/4885MTNR1B 29/4885

“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.