SCHEMBL3268653

SCHEMBL3268653

O=C(Nc1cccnc1)N1CCN(c2nccc(-c3cccc(F)c3)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.60
CSNK1E P49674 1/20 0.54
CA9 Q16790 3/20 0.53
CA2 P00918 1/20 0.53
TRPV1 Q8NER1 2/20 0.52
HCAR2 Q8TDS4 1/20 0.52
GAA P10253 1/20 0.48
DGAT1 O75907 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47

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
SCHEMBL3274594 0.92 FAAH (0.70) FAAHCSNK1ECA9CA2TRPV1
SCHEMBL3267821 0.89 FAAH (0.58) FAAHCA9CA2TRPV1HCAR2
SCHEMBL3274599 0.89 FAAH (0.71) FAAHCA9CA2TRPV1HCAR2
SCHEMBL3269187 0.88 HCAR2 (0.66) FAAHCA9CA2TRPV1HCAR2
SCHEMBL3272731 0.86 FAAH (0.73) FAAHTRPV1HCAR2GAAALDH1A1
SCHEMBL3269303 0.86 FAAH (0.71) FAAHTRPV1GAAALDH1A1PKM
SCHEMBL3269640 0.85 FAAH (0.56) FAAHCA9CA2TRPV1HCAR2
SCHEMBL13294969 0.83 CSNK1E (0.50) FAAHCSNK1ETRPV1ALDH1A1ABL1
SCHEMBL3269630 0.83 FAAH (0.71) FAAHCA9CA2TRPV1HCAR2
SCHEMBL3269004 0.83 CSNK1E (0.54) FAAHCSNK1ETRPV1ALDH1A1

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 1/4885CSNK1E 2623/4885CA9 902/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885CSNK1E 2623/4885CA9 902/4885

“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.