SCHEMBL3777222

SCHEMBL3777222

O=C(Nc1ccccc1)N1CCN(c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
HTT P42858 2/20 0.62
FAAH O00519 2/20 0.54
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TRPV1 Q8NER1 7/20 0.52
GOT1 P17174 1/20 0.52
MGLL Q99685 1/20 0.50
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL3761499 0.74 FAAH (0.77) FAAH
SCHEMBL3766404 0.72 MAPT (0.59) LMNAHTTFAAHCA2CA9
SCHEMBL17925501 0.71 LMNA (0.54) LMNAHTTFAAHMAPTSMN1; SMN2
SCHEMBL7670615 0.70 LMNA (0.54) LMNAHTTFAAHMAPTSMN1; SMN2
SCHEMBL7670621 0.70 LMNA (0.54) LMNAHTTFAAHMAPTSMN1; SMN2
SCHEMBL20072478 0.70 LMNA (0.51) LMNAHTTNPSR1
SCHEMBL20063263 0.70 PHGDH (0.62) LMNA
SCHEMBL19699081 0.70 IDH2 (0.46) LMNAHTTFAAHCA2CA9
SCHEMBL4046303 0.69 NPY5R (0.62)
SCHEMBL9370879 0.69 ROCK1 (0.52) FAAHCA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US claimed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP claimed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 LMNA 3346/4885HTT 1945/4885FAAH 1/4885

“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.