SCHEMBL427488

SCHEMBL427488

COc1ccc(-c2cn(C(=O)N(C)C3CCN(S(C)(=O)=O)CC3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.49
CES2 O00748 1/20 0.49
NPY5R Q15761 4/20 0.47
HTT P42858 1/20 0.45
MCHR1 Q99705 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
HPGDS O60760 1/20 0.41
ENPP2 Q13822 1/20 0.41
GAA P10253 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACP1 P24666 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL14937997 0.90 NPY5R (0.53) FAAHCES2NPY5RMCHR1KMT2A
SCHEMBL14938272 0.86 FAAH (0.52) FAAHCES2NPY5RALDH1A1
SCHEMBL425965 0.86 FAAH (0.61) FAAHCES2MCHR1KMT2A
SCHEMBL426222 0.85 MCHR1 (0.49) FAAHCES2HTTMCHR1KMT2A
SCHEMBL425992 0.85 FAAH (0.62) FAAHCES2MCHR1KMT2AMEN1
SCHEMBL16439285 0.84 MCHR1 (0.48) FAAHCES2HTTMCHR1KMT2A
SCHEMBL425090 0.84 MCHR1 (0.48) FAAHCES2HTTMCHR1ALDH1A1
SCHEMBL426170 0.84 FAAH (0.48) FAAHCES2MCHR1ALDH1A1
SCHEMBL425470 0.84 FAAH (0.47) FAAHCES2MCHR1
SCHEMBL425329 0.83 FAAH (0.50) FAAHCES2MCHR1KMT2AMEN1

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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 (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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885NPY5R 501/4885

“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.