SCHEMBL3274599

SCHEMBL3274599

O=C(Nc1cccnc1)N1CCN(c2nccc(-c3ccc(F)c(F)c3)n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.71
CA9 Q16790 6/20 0.50
CA2 P00918 4/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
HCAR2 Q8TDS4 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
GAA P10253 2/20 0.48
DGAT1 O75907 1/20 0.48
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 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
SCHEMBL3267821 0.89 FAAH (0.58) FAAHCA9CA2CA12CA1
SCHEMBL3268653 0.89 FAAH (0.60) FAAHCA9CA2HCAR2TRPV1
SCHEMBL3274594 0.89 FAAH (0.70) FAAHCA9CA2CA12CA1
SCHEMBL3269187 0.86 HCAR2 (0.66) FAAHCA9CA2CA12CA1
SCHEMBL3272731 0.86 FAAH (0.73) FAAHHCAR2TRPV1GAALMNA
SCHEMBL3269640 0.85 FAAH (0.56) FAAHCA9CA2HCAR2TRPV1
SCHEMBL3272459 0.85 FAAH (0.60) FAAHCA9CA2CA12CA1
SCHEMBL3269303 0.84 FAAH (0.71) FAAHTRPV1GAAPI4KB
SCHEMBL3269630 0.83 FAAH (0.71) FAAHCA9CA2HCAR2TRPV1
SCHEMBL3269969 0.83 FAAH (1.00) FAAHCA9CA2CA12CA1

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 7 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
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 1/4885CA9 902/4885CA2 395/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885CA9 902/4885CA2 395/4885

“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.