SCHEMBL4036670

SCHEMBL4036670

CCc1nn2ccccc2c1N(CC1CCOCC1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.41
MMP12 P39900 2/20 0.38
MMP3 P08254 1/20 0.38
ERG P11308 1/20 0.37
SPR P35270 1/20 0.35
MMP7 P09237 1/20 0.33
CHRM1 P11229 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
SCHEMBL4035124 0.93 SPR (0.37) CRHR1MMP12MMP3SPR
SCHEMBL4032505 0.86 CRHR1 (0.43) CRHR1MMP12MMP3ERGCHRM1
SCHEMBL4038331 0.84 CRHR1 (0.42) CRHR1MMP12MMP3ERGCHRM1
SCHEMBL13909016 0.81 CRHR1 (0.48) CRHR1MMP12MMP3ERGCHRM1
SCHEMBL4033668 0.79 HDAC1 (0.37) CRHR1MMP12MMP3
SCHEMBL3775689 0.79 CRHR1 (0.58) CRHR1ERG
SCHEMBL4032827 0.76 CRHR1 (0.42) CRHR1
SCHEMBL4034624 0.72 MMP3 (0.39) CRHR1MMP12MMP3CHRM1
SCHEMBL5847449 0.72 CRHR1 (0.47) CRHR1
Hydrochloric Acid SCHEMBL4035323 0.71 MMP3 (0.39) CRHR1MMP12MMP3CHRM1

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-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 CRHR1 1/4885MMP12 3639/4885MMP3 1834/4885
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS MC2R, CRHR1, CRHR2 CRHR1 2/4885MMP12 2926/4885MMP3 1911/4885
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds MC2R, CRHR1, CRHR2 CRHR1 2/4885MMP12 3041/4885MMP3 2115/4885

“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.