SCHEMBL3774294

SCHEMBL3774294

O=C(Nc1cccnc1)N1CCC(c2nc(-c3ccc(F)cc3)cs2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.54
FAAH O00519 6/20 0.51
MAPK1 P28482 1/20 0.48
GRIN2B Q13224 1/20 0.48
ROCK1 Q13464 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL3766417 0.91 FAAH (0.61) TRPV1FAAHGRIN2BROCK1LMNA
SCHEMBL3765809 0.90 TRPV1 (0.53) TRPV1FAAHMAPK1ROCK1LMNA
Hydrochloric Acid SCHEMBL3771784 0.89 TRPV1 (0.53) TRPV1FAAHMAPK1ROCK1LMNA
SCHEMBL3766263 0.86 FAAH (0.52) TRPV1FAAHGRIN2BSMN1; SMN2
SCHEMBL3771682 0.85 FAAH (0.62) TRPV1FAAHMAPK1ROCK1LMNA
SCHEMBL13294971 0.84 GRIN2B (0.48) TRPV1FAAHGRIN2BLMNAMEN1
SCHEMBL3765803 0.83 FAAH (0.64) TRPV1FAAH
SCHEMBL3778524 0.83 SMN1; SMN2 (0.61) TRPV1FAAHMAPK1ROCK1LMNA
SCHEMBL3759691 0.83 TRPV1 (0.56) TRPV1FAAHMAPK1LMNAPOLB
SCHEMBL16391926 0.81 TRPV1 (0.56) TRPV1FAAHROCK1MEN1MAPT

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 TRPV1 87/4885FAAH 1/4885MAPK1 2636/4885

“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.