SCHEMBL2852006

SCHEMBL2852006

Oc1cccc2c(N3CCNCC3)cc(C(F)(F)F)nc12

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 6/20 0.51
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.45
HTR5A P47898 2/20 0.44
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
SIGMAR1 Q99720 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
SCHEMBL2708060 0.86 ADRB2 (0.67) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL2711670 0.86 ADRB2 (0.67) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL2711291 0.85 ADRB2 (0.65) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL2710256 0.85 ADRB2 (0.65) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL13135658 0.85 ADRB2 (0.56) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL2710541 0.82 ADRB2 (0.61) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL2855235 0.82 ADRB2 (0.61) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL30058924 0.79 ADRB2 (1.00) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL2711296 0.79 ADRB2 (1.00) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL6605079 0.78 KDM4E (0.47) ADRB2HTR6NCF1KDM4EHTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
CN-100341862-C Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORP (JP) 2007-10-10 CN disclosed
CN-1606549-A Thiazolidine derivative and medical application thereof MITSUBISHI PHARMA CORP (JP) 2005-04-13 CN disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 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 (2 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 ADRB2 922/4885HTR6 1123/4885HTR2C 1043/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 ADRB2 821/4885HTR6 1545/4885HTR2C 1188/4885

“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.