SCHEMBL2711291

SCHEMBL2711291

FC(F)(F)c1cc(N2CCNCC2)c2cccc(Cl)c2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.65
HTR6 P50406 4/20 0.55
HTR2C P28335 2/20 0.55
ADRA2A P08913 1/20 0.55
AXL P30530 1/20 0.55
HRH1 P35367 1/20 0.55
HTR2B P41595 1/20 0.55
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
NCF1 P14598 4/20 0.51
ADRB1 P08588 4/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
PIK3R2 O00459 1/20 0.45
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR1D P28221 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43

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
SCHEMBL3872027 0.87 ADRB2 (0.48) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL2708060 0.86 ADRB2 (0.67) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL2711670 0.86 ADRB2 (0.67) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL3867390 0.85 PIK3R2 (0.55) ADRB2NCF1PIK3R2CYP1A2TSHR
SCHEMBL2852006 0.85 ADRB2 (0.65) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL2710256 0.85 ADRB2 (0.65) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL2855235 0.82 ADRB2 (0.61) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL2710541 0.82 ADRB2 (0.61) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL2711296 0.79 ADRB2 (1.00) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL30058924 0.79 ADRB2 (1.00) ADRB2HTR6HTR2CADRA2AAXL

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 12 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
CN-1186322-C Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2005-01-26 CN disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
CN-1441779-A Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2003-09-10 CN 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 1530/4885HTR6 1369/4885HTR2C 2119/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 ADRB2 1530/4885HTR6 1369/4885HTR2C 2119/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 ADRB2 1960/4885HTR6 878/4885HTR2C 1460/4885

“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.