SCHEMBL16804976

SCHEMBL16804976

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39

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
SCHEMBL16808998 0.81 FAAH (0.42) FAAHLMNAMMP2MMP13MMP14
SCHEMBL16856556 0.80 FAAH (0.40) FAAHLMNAMMP2MMP13MMP14
SCHEMBL16804961 0.80 FAAH (0.46) FAAHLMNAMMP2MMP13MMP14
SCHEMBL16804972 0.79 MMP13 (0.40) FAAHLMNAMMP2MMP13MMP14
SCHEMBL15869867 0.77 FAAH (0.45) FAAHLMNAMMP2MMP13MMP14
SCHEMBL14799971 0.77 MMP13 (0.48) FAAHLMNAMMP2MMP13MMP14
SCHEMBL16856612 0.76 MMP2 (0.43) FAAHLMNAMMP2MMP13MMP14
SCHEMBL16804979 0.76 LMNA (0.46) FAAHLMNAMMP2MMP13MMP14
SCHEMBL16804966 0.76 FAAH (0.38) FAAHLMNAMMP2MMP13MMP14
SCHEMBL16804970 0.76 FAAH (0.45) FAAHLMNAMMP2MMP13MMP14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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