SCHEMBL16783014

SCHEMBL16783014

CCOC(=O)c1cc(-c2cnc(Cl)cc2OC2COC2)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 9/20 0.44
▸ LMNA P02545 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL16804993 0.89 FAAH (0.42) FAAHLMNAMMP2MMP13MMP14
SCHEMBL16783072 0.84 LMNA (0.43) FAAHLMNAMMP2MMP13MMP14
SCHEMBL16804977 0.76 LMNA (0.51) FAAHLMNAMMP2MMP13MMP14
SCHEMBL16804979 0.74 LMNA (0.46) FAAHLMNAMMP2MMP13MMP14
SCHEMBL21605634 0.72 FAAH (0.43) FAAHLMNAKMT2AMAPTSMN1; SMN2
SCHEMBL16804975 0.72 MMP2 (0.42) FAAHLMNAMMP2MMP13MMP14
SCHEMBL21605651 0.71 FAAH (0.41) FAAHKMT2A
SCHEMBL16804989 0.71 MMP2 (0.41) FAAHLMNAMMP2MMP13MMP14
SCHEMBL16808954 0.70 LMNA (0.43) FAAHLMNAMMP2MMP13MMP14
SCHEMBL16804990 0.70 RXRA (0.35) MMP2MMP13MMP14KMT2ANPC1

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-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
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
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 FAAH 1619/4885LMNA 738/4885MMP2 4592/4885

“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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