SCHEMBL428157

SCHEMBL428157

COc1ccc(-c2cn(C(=O)N(C)C3CCOCC3)cn2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
CES2 O00748 1/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
PIK3CD O00329 1/20 0.38
KIT P10721 2/20 0.37
MTOR P42345 1/20 0.37
PIK3CA P42336 1/20 0.35
AXL P30530 2/20 0.35
MERTK Q12866 2/20 0.35
NEK2 P51955 1/20 0.35
LRRK2 Q5S007 1/20 0.35
PDE4B Q07343 2/20 0.35
TGFBR1 P36897 1/20 0.35

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
SCHEMBL428163 0.91 FAAH (0.48) FAAHCES2NPC1RAB9APDE4B
SCHEMBL424691 0.90 FAAH (0.56) FAAHCES2NPC1NEK2PDE4B
SCHEMBL14950293 0.89 FAAH (0.46) FAAHCES2NPC1RAB9APIK3CD
SCHEMBL427345 0.88 FAAH (0.46) FAAHCES2NPC1RAB9AMTOR
SCHEMBL427328 0.88 FAAH (0.46) FAAHCES2KITPIK3CANEK2
SCHEMBL7899710 0.87 FAAH (0.48) FAAHCES2PIK3CDMTORPIK3CA
SCHEMBL427411 0.86 FAAH (0.48) FAAHCES2NPC1RAB9APIK3CD
SCHEMBL14937556 0.86 FAAH (0.46) FAAHCES2NPC1RAB9APIK3CD
SCHEMBL14937905 0.86 TBK1 (0.45) FAAHCES2NPC1RAB9AMTOR
SCHEMBL426156 0.86 FAAH (0.50) FAAHCES2NPC1RAB9A

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 62/4885NPC1 446/4885

“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.