SCHEMBL3771682

SCHEMBL3771682

O=C(Nc1cnccn1)N1CCC(c2nc(-c3ccc(F)cc3)cs2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.62
TRPV1 Q8NER1 5/20 0.49
MEN1 O00255 1/20 0.49
CDC25A P30304 1/20 0.49
CDC25B P30305 1/20 0.49
CDC25C P30307 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
NAMPT P43490 1/20 0.43
CYP2C9 P11712 1/20 0.42
EPHX2 P34913 1/20 0.42
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK1 Q13464 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
SCHEMBL3768185 0.89 FAAH (0.61) FAAHTRPV1HTTLMNAALDH1A1
SCHEMBL3774294 0.85 TRPV1 (0.54) FAAHTRPV1MEN1HTTKMT2A
SCHEMBL3765803 0.83 FAAH (0.64) FAAHTRPV1
SCHEMBL3769563 0.83 FAAH (0.60) FAAHMEN1CDC25ACDC25BCDC25C
SCHEMBL3759691 0.81 TRPV1 (0.56) FAAHTRPV1MEN1HTTKMT2A
SCHEMBL3766121 0.78 TRPV1 (0.53) FAAHTRPV1MEN1HTTKMT2A
SCHEMBL3770662 0.76 FAAH (0.54) FAAHTRPV1MEN1HTTKMT2A
SCHEMBL3766417 0.76 FAAH (0.61) FAAHTRPV1MEN1KMT2ALMNA
SCHEMBL3765809 0.75 TRPV1 (0.53) FAAHTRPV1HTTLMNAALDH1A1
Hydrochloric Acid SCHEMBL3771784 0.75 TRPV1 (0.53) FAAHTRPV1HTTLMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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 (1 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 FAAH 1/4885TRPV1 87/4885MEN1 3363/4885

“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.