SCHEMBL4756495

SCHEMBL4756495

CC1CC(=O)C=CN1C(=O)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.48
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CHRNA7 P36544 1/20 0.43
HTR3A P46098 1/20 0.43
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
P2RX7 Q99572 5/20 0.38

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
SCHEMBL6316944 0.82 SMN1; SMN2 (0.51) SMN1; SMN2GAANFKB1NFKB2RELA
SCHEMBL757756 0.80 HTR2C (0.53) SMN1; SMN2NPC1RAB9ANPSR1HTT
SCHEMBL5470339 0.79 TSHR (0.44) NFKB1NFKB2RELAALDH1A1P2RX7
SCHEMBL16409413 0.77 P2RX7 (0.49) SMN1; SMN2NFKB1NFKB2RELACHRNA7
SCHEMBL12488873 0.76 P2RX7 (0.34) GAANFKB1NFKB2RELAP2RX7
SCHEMBL758730 0.76 NFKB1 (0.42) NFKB1NFKB2RELAMAPK1KDM4E
SCHEMBL4069068 0.75 TSHR (0.33) SMN1; SMN2ALDH1A1P2RX7
SCHEMBL19765489 0.73 NOTUM (0.35) GAANFKB1NFKB2RELAPOLB
SCHEMBL13027983 0.71 GAA (0.44) SMN1; SMN2GAAALDH1A1CHRNA7HTR3A
SCHEMBL15457515 0.71 NFKB1 (0.48) NFKB1NFKB2RELAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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 (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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 SMN1; SMN2 1776/4885GAA 4794/4885NFKB1 1809/4885

“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.