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Sugi Predict / Compounds / SCHEMBL1027550

SCHEMBL1027550

SCHEMBL1027550

O=C(O)c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 19/20 0.67
▸ SIGMAR1 Q99720 19/20 0.67
▸ ADRA2A P08913 3/20 0.56
▸ ADRA2B P18089 3/20 0.56
▸ HRH2 P25021 3/20 0.56
▸ HTR2C P28335 3/20 0.56
▸ HRH1 P35367 3/20 0.56
▸ HRH3 Q9Y5N1 3/20 0.56
▸ HTR1A P08908 2/20 0.56
▸ HTR2A P28223 2/20 0.56
▸ HTR2B P41595 2/20 0.56
▸ HTR1E P28566 2/20 0.56
▸ ADRA2C P18825 1/20 0.56
▸ DRD1 P21728 1/20 0.56
▸ HTR1B P28222 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ DRD3 P35462 2/20 0.55
▸ CHRM4 P08173 1/20 0.55
▸ CHRM5 P08912 1/20 0.55
▸ ADRA1D P25100 1/20 0.55

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
SCHEMBL1793928 0.95 TMEM97 (0.67) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL31173403 0.91 TMEM97 (0.68) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL1027341 0.90 TMEM97 (0.63) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL1082437 0.90 TMEM97 (0.64) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL2277280 0.89 TMEM97 (0.66) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL30645345 0.88 TMEM97 (0.70) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL3187484 0.88 TMEM97 (0.70) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL324228 0.86 TMEM97 (0.67) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL19622378 0.85 TMEM97 (0.71) TMEM97SIGMAR1ADRA2AADRA2BHRH2
SCHEMBL18530311 0.85 TMEM97 (0.67) TMEM97SIGMAR1ADRA2AADRA2BHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 — — US disclosed
US-8575193-B2 N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2013-11-05 — — US disclosed
US-8575193-B2 N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2013-11-05 — — US disclosed
US-8575193-B2 N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2013-11-05 — — US disclosed
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 — — US disclosed
EP-1961744-B1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-04-17 — — EP disclosed
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-16 — — US disclosed
US-8168783-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-05-01 — — US disclosed
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-08-18 — — US disclosed
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-08-18 — — US disclosed
WO-2009112550-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2009-09-17 — — WO disclosed
EP-2100879-A1 Novel N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2009-09-16 — — EP disclosed
EP-2100879-A1 Novel N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2009-09-16 — — EP disclosed
US-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-07-02 — — US disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 — — EP disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 — — US disclosed
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 — — US disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 — — EP disclosed
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 — — EP disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 — — 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 (5 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-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF CXCR4, CXCL12, CXCR3 TMEM97 1112/4885SIGMAR1 1677/4885ADRA2A 1486/4885
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 TMEM97 531/4885SIGMAR1 791/4885ADRA2A 733/4885
US-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 TMEM97 4472/4885SIGMAR1 4594/4885ADRA2A 3641/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 TMEM97 980/4885SIGMAR1 756/4885ADRA2A 1971/4885
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS HDAC1, HDAC3, HDAC4 TMEM97 3168/4885SIGMAR1 1674/4885ADRA2A 4278/4885

“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.