SCHEMBL16804970

SCHEMBL16804970

CCOC(=O)c1cc(-c2cnc(OCC3CCC3)cc2C)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 6/20 0.45
▸ GABRP O00591 2/20 0.36
▸ GABRD O14764 2/20 0.36
▸ GABRA1 P14867 2/20 0.36
▸ GABRB1 P18505 2/20 0.36
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ GABRA3 P34903 2/20 0.36
▸ GABRA2 P47869 2/20 0.36
▸ GABRB2 P47870 2/20 0.36
▸ GABRA4 P48169 2/20 0.36
▸ GABRE P78334 2/20 0.36
▸ GABRA6 Q16445 2/20 0.36
▸ GABRG1 Q8N1C3 2/20 0.36
▸ GABRG3 Q99928 2/20 0.36
▸ GABRQ Q9UN88 2/20 0.36
▸ JMJD6 Q6NYC1 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP13 P45452 1/20 0.36

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
SCHEMBL16804998 0.89 FAAH (0.43) FAAHGABRPGABRDGABRA1GABRB1
SCHEMBL16804985 0.85 FAAH (0.42) FAAHGABRPGABRDGABRA1GABRB1
SCHEMBL16804972 0.81 MMP13 (0.40) FAAHGABRPGABRDGABRA1GABRB1
SCHEMBL16804961 0.80 FAAH (0.46) FAAHGABRPGABRDGABRA1GABRB1
SCHEMBL16782989 0.80 WDR5 (0.37) RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL16804968 0.79 NPC1 (0.39) RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL16804999 0.79 MMP2 (0.45) FAAHJMJD6MMP2MMP13MMP14
SCHEMBL16804966 0.78 FAAH (0.38) FAAHGABRPGABRDGABRA1GABRB1
SCHEMBL16808998 0.77 FAAH (0.42) FAAHGABRPGABRDGABRA1GABRB1
SCHEMBL16856520 0.77 FAAH (0.36) FAAHGABRPGABRDGABRA1GABRB1

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 FAAH 1619/4885GABRP 626/4885GABRD 1190/4885

“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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