SCHEMBL2724231

SCHEMBL2724231

FC(F)(F)c1cc(N2CCCNCC2)c2ccccc2n1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 5/20 0.90
▸ NCF1 P14598 7/20 0.67
▸ HTR6 P50406 3/20 0.65
▸ ADRA2A P08913 1/20 0.65
▸ HTR2C P28335 1/20 0.65
▸ AXL P30530 1/20 0.65
▸ HRH1 P35367 1/20 0.65
▸ HTR2B P41595 1/20 0.65
▸ MKNK1 Q9BUB5 1/20 0.65
▸ MKNK2 Q9HBH9 1/20 0.65
▸ MAPK1 P28482 1/20 0.59
▸ ADRB1 P08588 2/20 0.59
▸ MAPT P10636 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ACVR1B P36896 1/20 0.46

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
SCHEMBL30058924 0.95 ADRB2 (1.00) ADRB2NCF1HTR6ADRA2AHTR2C
SCHEMBL2711296 0.95 ADRB2 (1.00) ADRB2NCF1HTR6ADRA2AHTR2C
SCHEMBL15673602 0.81 NCF1 (0.72) ADRB2NCF1HTR6HTR2BADRB1
SCHEMBL6595059 0.80 ADRB2 (0.73) ADRB2NCF1HTR6ADRA2AHTR2C
SCHEMBL2709564 0.80 ADRB2 (0.75) ADRB2NCF1HTR6ADRA2AHTR2C
SCHEMBL6125222 0.79 ADRB2 (0.72) ADRB2NCF1HTR6ADRA2AHTR2C
SCHEMBL425929 0.79 ADRB2 (0.71) ADRB2NCF1HTR6ADRA2AHTR2C
SCHEMBL2708517 0.79 ADRB2 (0.73) ADRB2NCF1HTR6ADRA2AHTR2C
SCHEMBL2244546 0.79 ADRB2 (1.00) ADRB2NCF1HTR6ADRA2AHTR2C
SCHEMBL23362148 0.77 ADRB2 (0.68) ADRB2NCF1HTR6ADRA2AHTR2C

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 — — EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 — — EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 — — EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 — — EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 — — US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 — — US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 — — US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 — — US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 — — US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 — — 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 (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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 ADRB2 1530/4885NCF1 4367/4885HTR6 1369/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 ADRB2 1530/4885NCF1 4367/4885HTR6 1369/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 ADRB2 1960/4885NCF1 3736/4885HTR6 878/4885

“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.

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