SCHEMBL3269969

SCHEMBL3269969

O=C(Nc1cccnn1)N1CCN(c2nccc(-c3ccc(F)c(F)c3)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 1.00
HCAR2 Q8TDS4 1/20 0.50
DGAT1 O75907 1/20 0.48
CA9 Q16790 4/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45

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
SCHEMBL3267761 0.89 FAAH (0.84) FAAHHCAR2DGAT1CA9CA2
SCHEMBL3269230 0.89 FAAH (0.86) FAAHHCAR2DGAT1CA9CA2
SCHEMBL3272262 0.89 FAAH (1.00) FAAHHCAR2DGAT1CA9CA2
SCHEMBL3273554 0.87 FAAH (1.00) FAAHHCAR2DGAT1ALDH1A1PKM
SCHEMBL3268636 0.86 FAAH (0.78) FAAHHCAR2DGAT1CA9CA2
SCHEMBL3269826 0.85 FAAH (0.81) FAAHHCAR2DGAT1ALDH1A1PKM
SCHEMBL3270362 0.85 FAAH (0.86) FAAHHCAR2DGAT1ALDH1A1PKM
SCHEMBL3267671 0.84 FAAH (1.00) FAAHHCAR2DGAT1ALDH1A1PKM
SCHEMBL3275491 0.83 FAAH (1.00) FAAHHCAR2DGAT1ALDH1A1PKM
SCHEMBL3274599 0.83 FAAH (0.71) FAAHHCAR2DGAT1CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US claimed
US-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
US-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
US-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-2199282-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-23 EP disclosed
EP-2199282-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-23 EP disclosed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 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 (2 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-20100234389-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885HCAR2 34/4885DGAT1 256/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885HCAR2 34/4885DGAT1 256/4885

“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.