SCHEMBL16808954

SCHEMBL16808954

CCOC(=O)c1cc(-c2cnc(C(F)(F)F)cc2Cl)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ FAAH O00519 2/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GABRP O00591 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
SCHEMBL16804979 0.86 LMNA (0.46) LMNAFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL15869842 0.80 FAAH (0.42) FAAHNPC1RAB9ASMN1; SMN2MMP2
SCHEMBL3435464 0.78 MAPT (0.50) FAAHNPC1RAB9ASMN1; SMN2CHRNA7
SCHEMBL15869856 0.77 FAAH (0.46) FAAHNPC1RAB9ASMN1; SMN2MMP2
SCHEMBL16804977 0.77 LMNA (0.51) LMNAFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL16783072 0.76 LMNA (0.43) LMNAFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL16808957 0.76 MMP2 (0.38) LMNAFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL15869839 0.75 FAAH (0.43) FAAHNPC1RAB9ASMN1; SMN2MMP2
SCHEMBL16808956 0.75 MAPT (0.39) NPC1SMN1; SMN2MMP2MMP13MMP14
SCHEMBL23356415 0.74 KDM4E (0.53) KDM4EALDH1A1HPGDMAPTKMT2A

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
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

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 LMNA 738/4885FAAH 1619/4885NPC1 599/4885

“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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