SCHEMBL5529088

SCHEMBL5529088

COc1ccc(-n2nc(C(=O)NC3CCCC3)cc2-c2cnccn2)nn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.43
FAAH O00519 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
GRM5 P41594 1/20 0.38
PTGS1 P23219 1/20 0.38
EPHX2 P34913 1/20 0.38
PTGS2 P35354 1/20 0.38
CNR1 P21554 2/20 0.38
GAA P10253 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGDS O60760 1/20 0.37
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL5521136 0.88 CFTR (0.46) CFTRFAAHGRM5PTGS1EPHX2
SCHEMBL5524868 0.83 MEN1 (0.36) EPHX2CNR1GAAKDM4ERAB9A
SCHEMBL5266195 0.82 RPA1 (0.39) GAAKDM4EALDH1A1
SCHEMBL5527821 0.81 RAB9A (0.36) CNR1RAB9ACNR2ALDH1A1
SCHEMBL5269213 0.78 GRM5 (0.35) GRM5KDM4ENPC1RAB9A
SCHEMBL5272992 0.76 CYP2C9 (0.39) ALDH1A1
SCHEMBL5530110 0.74 FAAH (0.47) CFTRFAAHGRM5PTGS1EPHX2
SCHEMBL5266028 0.73 RAB9A (0.39) PTGS2NPC1RAB9AALDH1A1
SCHEMBL5267693 0.72 ALDH1A1 (0.40) PTGS2KDM4ENPC1RAB9AALDH1A1
SCHEMBL14529783 0.71 ADORA2A (0.38) CHRNB2CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (1 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 CFTR 4519/4885FAAH 63/4885CHRNB2 4605/4885

“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.