SCHEMBL16804994

SCHEMBL16804994

COC(=O)c1cc(-c2cnc(C3CC3)cc2OC)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.37
▸ CHRNB2 P17787 4/20 0.36
▸ CHRNA4 P43681 4/20 0.36
▸ CHRNB4 P30926 2/20 0.36
▸ CHRNA3 P32297 2/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ TRPC6 Q9Y210 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ PLAT P00750 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ APLNR P35414 1/20 0.34
▸ PADI4 Q9UM07 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ POLQ O75417 1/20 0.33

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
SCHEMBL16804986 0.84 HPGD (0.38) CHRNB2CHRNA4CHRNB4CHRNA3MMP2
SCHEMBL16783020 0.83 PDE4B (0.40) PDE4DCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16805001 0.82 MMP2 (0.38) PDE4DCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16804973 0.82 POLQ (0.42) MMP2MMP13MMP14POLQ
SCHEMBL16782960 0.82 PDE4D (0.44) PDE4DCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16783070 0.78 MMP2 (0.42) MMP2MMP13MMP14FAAH
SCHEMBL16808956 0.78 MAPT (0.39) MMP2MMP13MMP14POLQ
SCHEMBL15868163 0.78 PDE4D (0.42) PDE4DCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16804980 0.76 CRHR1 (0.36) MMP2MMP13MMP14POLBPOLQ
SCHEMBL16804983 0.76 MMP2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3DRD4

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 PDE4D 3462/4885CHRNB2 3123/4885CHRNA4 3416/4885

“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.

Send feedback