SCHEMBL4038331

SCHEMBL4038331

CCc1nn2ccccc2c1N(CC1CC1)C(=O)C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.42
MMP3 P08254 1/20 0.41
MMP12 P39900 1/20 0.41
ERG P11308 1/20 0.37
CHRM1 P11229 1/20 0.35
HDAC1 Q13547 1/20 0.34
NR1H4 Q96RI1 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
SCHEMBL4032505 0.89 CRHR1 (0.43) CRHR1MMP3MMP12ERGCHRM1
SCHEMBL4033668 0.85 HDAC1 (0.37) CRHR1MMP3MMP12HDAC1
SCHEMBL5848998 0.84 HTT (0.39) MMP3MMP12HDAC1
SCHEMBL4036670 0.84 CRHR1 (0.41) CRHR1MMP3MMP12ERGCHRM1
SCHEMBL3775689 0.83 CRHR1 (0.58) CRHR1ERG
SCHEMBL13909016 0.82 CRHR1 (0.48) CRHR1MMP3MMP12ERGCHRM1
SCHEMBL5847816 0.82 DRD2 (0.42) CRHR1MMP3MMP12CHRM1HDAC1
SCHEMBL4035124 0.80 SPR (0.37) CRHR1MMP3MMP12
SCHEMBL4034624 0.76 MMP3 (0.39) CRHR1MMP3MMP12CHRM1HDAC1
SCHEMBL5847449 0.76 CRHR1 (0.47) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858809-B2 Process for production of pyrazole-fused ring derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-28 US disclosed
US-7858809-B2 Process for production of pyrazole-fused ring derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-28 US disclosed
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-20070191613-A1 Process for production of pyrazole-fused ring derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191613-A1 Process for production of pyrazole-fused ring derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-08-16 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-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 (4 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 1/4885MMP3 1834/4885MMP12 3639/4885
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS MC2R, CRHR1, CRHR2 CRHR1 2/4885MMP3 1911/4885MMP12 2926/4885
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds MC2R, CRHR1, CRHR2 CRHR1 2/4885MMP3 2115/4885MMP12 3041/4885
US-20070191613-A1 Process for production of pyrazole-fused ring derivatives CYP4F3, CYP4F2, CYP2F1 CRHR1 2190/4885MMP3 3177/4885MMP12 3370/4885

“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.