SCHEMBL731248

SCHEMBL731248

CN1C[C@@H](CO)Oc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.49
HTR1A P08908 2/20 0.46
NISCH Q9Y2I1 1/20 0.46
PTGIR P43119 4/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL1689633 1.00 CASR (0.49) CASRHTR1ANISCHPTGIRSIRT2
SCHEMBL6102026 1.00 CASR (0.49) CASRHTR1ANISCHPTGIRSIRT2
SCHEMBL17150936 0.84 CASR (0.50) CASRHTR1ANISCH
SCHEMBL2685298 0.83 CASR (0.49) CASRHTR1ANISCHPTGIRSIRT2
SCHEMBL7817626 0.82 NISCH (0.48) NISCHPTGIR
SCHEMBL6098334 0.82 NISCH (0.48) NISCHPTGIR
SCHEMBL5645322 0.81 NISCH (0.50) CASRNISCHPTGIR
SCHEMBL6100304 0.81 NISCH (0.49) HTR1ANISCHPTGIR
SCHEMBL31378741 0.81 RORC (0.39) CASRNISCH
SCHEMBL6971604 0.81 NISCH (0.51) HTR1ANISCHSIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177513-B1 PHENYLACETIC ACID COMPOUND ONO PHARMACEUTICAL CO (JP) 2015-07-01 EP disclosed
US-20140357630-A1 Phenylacetic Acid Compound ONO PHARMACEUTICAL CO., LTD. (JP) 2014-12-04 US disclosed
US-20140357630-A1 Phenylacetic Acid Compound ONO PHARMACEUTICAL CO., LTD. (JP) 2014-12-04 US disclosed
US-8809524-B2 Phenylacetic acid compound ONO PHARMACEUTICAL CO., LTD. (JP) 2014-08-19 US disclosed
US-8809524-B2 Phenylacetic acid compound ONO PHARMACEUTICAL CO., LTD. (JP) 2014-08-19 US disclosed
US-20130225808-A1 PHENYLACETIC ACID COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-29 US disclosed
US-20130225808-A1 PHENYLACETIC ACID COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-29 US disclosed
US-8476266-B2 Phenylacetic acid compound ONO PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476266-B2 Phenylacetic acid compound ONO PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20130028887-A1 PHENYLACETIC ACID COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2013-01-31 US disclosed
US-7135495-B2 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-14 US disclosed
US-20060194864-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. 2006-08-31 US disclosed
US-20060089353-A1 Indole derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-04-27 US disclosed
EP-1600440-A1 INDOLE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP disclosed
US-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
US-20050004097-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
US-20050004096-A1 Indole derivatives, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
EP-1486491-A1 CARBOXYOIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-15 EP disclosed
EP-1424325-A1 INDOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
EP-1424335-A1 INDOLE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP 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 (8 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-20060194864-A1 Indole derivatives IDO1, IDO2, PTGIR CASR 611/4885HTR1A 85/4885NISCH 2195/4885
US-20050004097-A1 Indole derivatives IDO1, IDO2, PTGIR CASR 611/4885HTR1A 85/4885NISCH 2195/4885
US-20130225808-A1 PHENYLACETIC ACID COMPOUND PC, PAH, PDHA2 CASR 4358/4885HTR1A 117/4885NISCH 1687/4885
US-20060089353-A1 Indole derivative compounds and drugs containing the compounds as the active ingredient PTGIS, IDO1, IDO2 CASR 1035/4885HTR1A 223/4885NISCH 2741/4885
US-20050004096-A1 Indole derivatives, process for producing the same and drugs containing the same as the active ingredient IDO1, IDO2, PTGIR CASR 718/4885HTR1A 50/4885NISCH 1449/4885
US-20130028887-A1 PHENYLACETIC ACID COMPOUND PC, PAH, PDHA2 CASR 4358/4885HTR1A 117/4885NISCH 1687/4885
US-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient UACA, CPA3, HCAR1 CASR 231/4885HTR1A 461/4885NISCH 2753/4885
US-20140357630-A1 Phenylacetic Acid Compound PC, PAH, PDHA2 CASR 4358/4885HTR1A 117/4885NISCH 1687/4885

“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.