SCHEMBL4035124

SCHEMBL4035124

CCc1nn2ccccc2c1N(CC1CC1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPR P35270 5/20 0.37
CRHR1 P34998 11/20 0.36
CNR2 P34972 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
MMP3 P08254 1/20 0.34
MMP12 P39900 1/20 0.34
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL4036670 0.93 CRHR1 (0.41) SPRCRHR1MMP3MMP12
SCHEMBL4033668 0.85 HDAC1 (0.37) CRHR1HTR1ADRD2DRD4DRD3
SCHEMBL4032827 0.82 CRHR1 (0.42) CRHR1
SCHEMBL4038331 0.80 CRHR1 (0.42) CRHR1MMP3MMP12
SCHEMBL4032505 0.78 CRHR1 (0.43) CRHR1CNR2MMP3MMP12
SCHEMBL5847449 0.76 CRHR1 (0.47) CRHR1
SCHEMBL4032861 0.75 CRHR1 (0.66) CRHR1
SCHEMBL5848998 0.75 HTT (0.39) HTR1ADRD2DRD4DRD3MMP3
SCHEMBL5847945 0.74 CRHR1 (0.47) CRHR1HTR1ADRD2DRD4DRD3
SCHEMBL5847816 0.73 DRD2 (0.42) CRHR1HTR1ADRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1555265-B1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2009-03-25 EP disclosed
EP-1555265-B1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2009-03-25 EP disclosed
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US disclosed
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US disclosed
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds EISAI CO.LTD. (JP) 2006-10-19 US disclosed
EP-1555265-A1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS Eisai Co., Ltd. (JP) 2005-07-20 EP disclosed
US-20040224974-A1 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-11-11 US 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-20040224974-A1 7-phenylpyrazolopyridine compounds CRHR1, MC2R, CRH SPR 2881/4885CRHR1 1/4885CNR2 256/4885
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS MC2R, CRHR1, CRHR2 SPR 2063/4885CRHR1 2/4885CNR2 221/4885
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds MC2R, CRHR1, CRHR2 SPR 1803/4885CRHR1 2/4885CNR2 249/4885

“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.