SCHEMBL4033668

SCHEMBL4033668

CCc1nn2ccccc2c1N(CC1CC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
KCNH2 Q12809 1/20 0.37
CRHR1 P34998 10/20 0.37
MMP3 P08254 1/20 0.36
MMP12 P39900 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
KIF11 P52732 1/20 0.35
EGFR P00533 1/20 0.35
ALOX15 P16050 1/20 0.34
MIF P14174 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4032505 0.92 CRHR1 (0.43) HDAC1KCNH2CRHR1MMP3MMP12
SCHEMBL4035124 0.85 SPR (0.37) CRHR1MMP3MMP12HTR1ADRD2
SCHEMBL4038331 0.85 CRHR1 (0.42) HDAC1CRHR1MMP3MMP12
SCHEMBL5847449 0.81 CRHR1 (0.47) CRHR1
SCHEMBL5848998 0.80 HTT (0.39) HDAC1KCNH2MMP3MMP12HTR1A
SCHEMBL4033411 0.80 CRHR1 (0.44) CRHR1
SCHEMBL4036670 0.79 CRHR1 (0.41) CRHR1MMP3MMP12
SCHEMBL5847945 0.79 CRHR1 (0.47) CRHR1HTR1ADRD2DRD4DRD3
SCHEMBL5847816 0.78 DRD2 (0.42) HDAC1KCNH2CRHR1MMP3MMP12
SCHEMBL3775689 0.77 CRHR1 (0.58) CRHR1

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 7 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
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-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 HDAC1 1024/4885KCNH2 281/4885CRHR1 1/4885
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS MC2R, CRHR1, CRHR2 HDAC1 1157/4885KCNH2 373/4885CRHR1 2/4885
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds MC2R, CRHR1, CRHR2 HDAC1 1080/4885KCNH2 431/4885CRHR1 2/4885

“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.