SCHEMBL3273554

SCHEMBL3273554

O=C(Nc1cccnn1)N1CCN(c2nccc(-c3cc(F)ccc3F)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 1.00
PKM P14618 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HCAR2 Q8TDS4 1/20 0.46
KDM4E B2RXH2 1/20 0.43
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
DGAT1 O75907 1/20 0.42

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
SCHEMBL3267671 0.94 FAAH (1.00) FAAHPKMALDH1A1HCAR2KDM4E
SCHEMBL3270362 0.90 FAAH (0.86) FAAHPKMALDH1A1HCAR2DGAT1
SCHEMBL3267761 0.87 FAAH (0.84) FAAHPKMALDH1A1HCAR2DGAT1
SCHEMBL3269969 0.87 FAAH (1.00) FAAHPKMALDH1A1HCAR2DGAT1
SCHEMBL3275491 0.87 FAAH (1.00) FAAHPKMALDH1A1HCAR2DGAT1
SCHEMBL3269230 0.87 FAAH (0.86) FAAHPKMALDH1A1HCAR2CSNK1D
SCHEMBL3272262 0.87 FAAH (1.00) FAAHPKMALDH1A1HCAR2CSNK1D
SCHEMBL3269826 0.85 FAAH (0.81) FAAHPKMALDH1A1HCAR2KDM4E
SCHEMBL3272731 0.84 FAAH (0.73) FAAHPKMALDH1A1HCAR2
SCHEMBL3268636 0.82 FAAH (0.78) FAAHHCAR2DGAT1

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 8 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 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 1/4885PKM 4524/4885ALDH1A1 259/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885PKM 4524/4885ALDH1A1 259/4885

“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.