SCHEMBL16804972

SCHEMBL16804972

CCOC(=O)c1cc(-c2cnc(OCCOC)cc2C)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ FAAH O00519 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37

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
SCHEMBL16804999 0.84 MMP2 (0.45) MMP13MMP2MMP14RAB9ANPC1
SCHEMBL16804970 0.81 FAAH (0.45) MMP13MMP2MMP14RAB9ANPC1
SCHEMBL16804989 0.80 MMP2 (0.41) MMP13MMP2MMP14LMNAFAAH
SCHEMBL16804966 0.80 FAAH (0.38) MMP13MMP2MMP14RAB9ANPC1
SCHEMBL16856520 0.80 FAAH (0.36) MMP13MMP2MMP14RAB9ANPC1
SCHEMBL16804971 0.80 MMP2 (0.38) MMP13MMP2MMP14KDM4EATM
SCHEMBL16804975 0.79 MMP2 (0.42) MMP13MMP2MMP14RAB9ANPC1
SCHEMBL16804976 0.79 FAAH (0.43) MMP13MMP2MMP14RAB9ANPC1
SCHEMBL16783089 0.78 NPC1 (0.44) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL16804964 0.78 NNMT (0.46) MMP13MMP2MMP14KDM4EMEN1

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 MMP13 3006/4885MMP2 4592/4885MMP14 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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