SCHEMBL3274064

SCHEMBL3274064

O=C(Nc1cccnc1)N1CCN(c2cc(-c3ccccc3F)ncn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.58
TRPV1 Q8NER1 4/20 0.52
LOXL2 Q9Y4K0 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PI4KB Q9UBF8 1/20 0.44
GAA P10253 1/20 0.44
KIT P10721 2/20 0.44
CYP11B2 P19099 1/20 0.43
CYP2D6 P10635 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
SCHEMBL3273934 0.93 FAAH (0.54) FAAHTRPV1LOXL2KDM4EALDH1A1
SCHEMBL3268246 0.91 FAAH (0.71) FAAHTRPV1LOXL2KDM4EALDH1A1
SCHEMBL3275071 0.86 FAAH (0.57) FAAHTRPV1LOXL2KDM4EALDH1A1
SCHEMBL3274325 0.85 FAAH (0.54) FAAHTRPV1LOXL2KDM4EALDH1A1
SCHEMBL3269004 0.84 CSNK1E (0.54) FAAHTRPV1LOXL2KDM4EALDH1A1
SCHEMBL3275295 0.83 FAAH (0.83) FAAHTRPV1LOXL2
SCHEMBL3272459 0.82 FAAH (0.60) FAAHTRPV1ALDH1A1LMNAPI4KB
SCHEMBL3268499 0.80 FAAH (0.54) FAAHTRPV1KDM4EALDH1A1DRD2
SCHEMBL3537474 0.79 FAAH (0.52) FAAHLOXL2KDM4EALDH1A1LMNA
SCHEMBL21045109 0.79 TRPV1 (0.57) FAAHTRPV1DRD2MAPTHTT

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 1/4885TRPV1 6/4885LOXL2 2337/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885TRPV1 6/4885LOXL2 2337/4885

“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.