SCHEMBL16633204

SCHEMBL16633204

CN(C)CC(c1ccc(OC(F)(F)F)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MMP1 P03956 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PDE2A O00408 3/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
POLB P06746 1/20 0.38
LSS P48449 1/20 0.38
OPRM1 P35372 1/20 0.37
EPHX1 P07099 1/20 0.37
SERPINE1 P05121 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
SPPL2B Q8TCT7 1/20 0.37
SPPL2A Q8TCT8 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 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
SCHEMBL16633980 0.87 ALDH1A1 (0.41) MMP2MMP9ALDH1A1PDE2APOLB
SCHEMBL16634078 0.86 EPHX1 (0.40) MMP2MMP9ALDH1A1PDE2ASLC6A2
SCHEMBL16633428 0.85 ALDH1A1 (0.38) MMP2MMP9ALDH1A1PDE2ASLC6A2
SCHEMBL16632995 0.84 EPHX1 (0.41) MMP2MMP9ALDH1A1SLC6A2SLC6A4
SCHEMBL16633307 0.82 ALDH1A1 (0.38) MMP2MMP9ALDH1A1PDE2APOLB
SCHEMBL16633172 0.82 ALDH1A1 (0.38) MMP2MMP9ALDH1A1PDE2APOLB
SCHEMBL16633119 0.80 SLC6A4 (0.47) SLC6A2SLC6A4OPRM1
SCHEMBL16633394 0.78 ALDH1A1 (0.38) ALDH1A1PDE2ASLC6A2SLC6A4EPHX1
SCHEMBL16563726 0.77 TRPV1 (0.40) ALDH1A1PDE2AEPHX1SERPINE1PSEN1
SCHEMBL16633600 0.77 MMP2 (0.46) MMP2MMP9ALDH1A1PDE2AOPRM1

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-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 US disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A MMP2 860/4885MMP9 474/4885MMP1 763/4885

“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.