SCHEMBL16804983

SCHEMBL16804983

COC(=O)c1cc(-c2cnc(C3CC3)c(F)c2C)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ FAAH O00519 2/20 0.36
▸ SLC6A3 Q01959 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PLA2G10 O15496 1/20 0.34
▸ CHRNB2 P17787 4/20 0.34
▸ CHRNA4 P43681 4/20 0.34
▸ CHRNB4 P30926 2/20 0.34
▸ CHRNA3 P32297 2/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ PLAT P00750 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SPR P35270 1/20 0.33
▸ SMO Q99835 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL16782962 0.81 STIM1 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3DRD4
SCHEMBL16783011 0.81 NPY5R (0.41) MEN1KMT2A
SCHEMBL16804974 0.80 MMP2 (0.43) MMP2MMP13MMP14FAAHMEN1
SCHEMBL16804994 0.76 PDE4D (0.37) MMP2MMP13MMP14FAAHCHRNB2
SCHEMBL16804986 0.76 HPGD (0.38) MMP2MMP13MMP14CHRNB2CHRNA4
SCHEMBL16804962 0.73 MMP2 (0.41) MMP2MMP13MMP14FAAHSLC6A3
SCHEMBL17381133 0.73 CYP17A1 (0.43) MMP2MMP13MMP14FAAHCHRNB2
SCHEMBL16804991 0.72 NPC1 (0.39) MMP2MMP13MMP14PLA2G10ALDH1A1
SCHEMBL15868161 0.72 MMP2 (0.39) MMP2MMP13MMP14FAAHSLC6A3
SCHEMBL16804964 0.72 NNMT (0.46) MMP2MMP13MMP14MEN1KMT2A

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
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — 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-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES AADAC, NLRP3, NOD2 MMP2 4592/4885MMP13 3006/4885MMP14 3415/4885

“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.

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