SCHEMBL428068

SCHEMBL428068

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
CES2 O00748 1/20 0.46
MCHR1 Q99705 6/20 0.45
CCR5 P51681 3/20 0.43
TP53 P04637 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KMT2A Q03164 3/20 0.39
OPRM1 P35372 2/20 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
SCHEMBL428200 0.92 FAAH (0.46) FAAHCES2MCHR1CCR5GRIN1
SCHEMBL426170 0.90 FAAH (0.48) FAAHCES2MCHR1CCR5GRIN1
SCHEMBL7892004 0.88 FAAH (0.54) FAAHCES2MCHR1CCR5
SCHEMBL427987 0.87 FAAH (0.42) FAAHCES2MCHR1CCR5GRIN1
SCHEMBL426233 0.86 FAAH (0.45) FAAHCES2MCHR1CCR5GRIN1
SCHEMBL427261 0.85 CHRM2 (0.53) FAAHCES2MCHR1BCHEACHE
SCHEMBL425965 0.85 FAAH (0.61) FAAHCES2MCHR1GRIN1GRIN2B
SCHEMBL426222 0.85 MCHR1 (0.49) FAAHCES2MCHR1TP53KMT2A
SCHEMBL425992 0.84 FAAH (0.62) FAAHCES2MCHR1GRIN1GRIN2B
SCHEMBL16439285 0.84 MCHR1 (0.48) FAAHCES2MCHR1TP53GRIN1

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 4 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
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 62/4885MCHR1 2099/4885

“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.