SCHEMBL3268546

SCHEMBL3268546

O=C(Nc1cccnc1)N1CCN(c2ccnc(-c3cccc(F)c3F)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.53
TRPV1 Q8NER1 9/20 0.52
PI4KB Q9UBF8 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
JAK2 O60674 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL3268403 0.89 TRPV1 (0.53) FAAHTRPV1KDM4EALDH1A1MAPT
SCHEMBL3267793 0.87 FAAH (0.53) FAAHTRPV1PI4KBKDM4EALDH1A1
SCHEMBL3269000 0.86 FAAH (0.71) FAAHTRPV1PI4KBALDH1A1
Hydrochloric Acid SCHEMBL3270569 0.85 FAAH (0.70) FAAHTRPV1PI4KBALDH1A1
SCHEMBL3268499 0.85 FAAH (0.54) FAAHTRPV1PI4KBKDM4EALDH1A1
SCHEMBL13294783 0.83 FAAH (0.44) FAAHTRPV1LMNAMAPT
SCHEMBL3272018 0.83 FAAH (0.75) FAAHTRPV1
SCHEMBL3269630 0.83 FAAH (0.71) FAAHTRPV1PI4KBALDH1A1LMNA
SCHEMBL3273934 0.82 FAAH (0.54) FAAHTRPV1PI4KBKDM4EALDH1A1
SCHEMBL3272692 0.82 FAAH (0.67) FAAHTRPV1PI4KBKDM4EALDH1A1

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 6/4885PI4KB 4216/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885TRPV1 6/4885PI4KB 4216/4885

“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.