SCHEMBL15869833

SCHEMBL15869833

CCOC(=O)c1cc(-c2ccc(OC)cc2C)n(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.49
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
TP53 P04637 1/20 0.45
PDE4D Q08499 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL15869846 0.87 FAAH (0.48) FAAHMMP2MMP13MMP14TP53
SCHEMBL14799971 0.86 MMP13 (0.48) FAAHMMP2MMP13MMP14TP53
SCHEMBL15869834 0.85 POLB (0.50) KDM4EPOLBALDH1A1KMT2AMEN1
SCHEMBL15868151 0.84 SMN1; SMN2 (0.45) FAAHMMP2MMP13MMP14KDM4E
SCHEMBL4694993 0.84 FAAH (0.63) FAAHMMP2MMP13MMP14TP53
SCHEMBL14799919 0.81 MMP2 (0.46) FAAHMMP2MMP13MMP14KDM4E
SCHEMBL17319167 0.79 MMP2 (0.44) FAAHMMP2MMP13MMP14ALDH1A1
SCHEMBL15869830 0.77 CHRNA7 (0.47) FAAHMMP2MMP13MMP14TP53
SCHEMBL15869867 0.77 FAAH (0.45) FAAHMMP2MMP13MMP14KDM4E
SCHEMBL3435464 0.77 MAPT (0.50) FAAHKDM4EPOLB

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
US-9078899-B2 Pyrazolyl-based carboxamides II GRUENENTHAL GMBH (DE) 2015-07-14 US disclosed
US-9078899-B2 Pyrazolyl-based carboxamides II GRUENENTHAL GMBH (DE) 2015-07-14 US disclosed
WO-2014108336-A1 PYRAZOLYL-BASED CARBOXAMIDES II AS CRAC CHANNEL INHIBITORS Grünenthal GmbH (DE) 2014-07-17 WO disclosed
US-20140194452-A1 Pyrazolyl-Based Carboxamides II Grünenthal GmbH (DE) 2014-07-10 US disclosed
US-20140194452-A1 Pyrazolyl-Based Carboxamides II Grünenthal GmbH (DE) 2014-07-10 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-20140194452-A1 Pyrazolyl-Based Carboxamides II AADAC, VDAC2, NLRP3 FAAH 1408/4885MMP2 4292/4885MMP13 2958/4885

“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.