SCHEMBL3274880

SCHEMBL3274880

O=C(Nc1cnccn1)N1CCN(c2cccc(-c3cccc(F)c3F)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.57
TRPV1 Q8NER1 4/20 0.46
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NAMPT P43490 1/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
CDC7 O00311 1/20 0.39
AURKA O14965 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
CSF1R P07333 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK1 P28482 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
CSNK1D P48730 1/20 0.39
CLK2 P49760 1/20 0.39
MAPK12 P53778 1/20 0.39

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
SCHEMBL3273360 0.87 FAAH (0.73) FAAHTRPV1KDM4EALDH1A1NAMPT
SCHEMBL3267793 0.85 FAAH (0.53) FAAHTRPV1KDM4EALDH1A1DYRK1A
SCHEMBL3269821 0.83 FAAH (0.76) FAAHTRPV1CSNK1D
SCHEMBL3268200 0.82 ALDH1A1 (0.56) FAAHTRPV1KDM4EALDH1A1MAPK1
SCHEMBL3274584 0.81 FAAH (0.51) FAAHTRPV1ALDH1A1GSK3BMAPK1
SCHEMBL3267927 0.79 FAAH (0.50) FAAHTRPV1KDM4EALDH1A1CSNK1D
SCHEMBL3772087 0.78 FAAH (0.62) FAAHALDH1A1MAPK1
SCHEMBL3270535 0.76 FAAH (0.48) FAAHTRPV1KDM4EALDH1A1
SCHEMBL3270509 0.76 FAAH (0.49) FAAHTRPV1KDM4EALDH1A1
SCHEMBL3268546 0.74 FAAH (0.53) FAAHTRPV1KDM4EALDH1A1

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 6/4885KDM4E 983/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885TRPV1 6/4885KDM4E 983/4885

“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.