SCHEMBL427909

SCHEMBL427909

CCCN1CCC(N(C)C(=O)n2cnc(-c3cccc(N)c3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.49
CES2 O00748 1/20 0.49
RAD52 P43351 1/20 0.39
CCR5 P51681 3/20 0.37
UBE2M P61081 5/20 0.37
DCUN1D1 Q96GG9 5/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
AOC3 Q16853 1/20 0.36
USP19 O94966 1/20 0.36
POLB P06746 1/20 0.36
MAP4K4 O95819 2/20 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
SCHEMBL426139 0.92 FAAH (0.51) FAAHCES2RAD52CCR5OPRM1
SCHEMBL14950179 0.89 FAAH (0.50) FAAHCES2CCR5UBE2MDCUN1D1
SCHEMBL425070 0.89 FAAH (0.50) FAAHCES2OPRM1OPRD1OPRK1
SCHEMBL14938037 0.89 FAAH (0.49) FAAHCES2CCR5UBE2MDCUN1D1
SCHEMBL427918 0.88 FAAH (0.47) FAAHCES2CCR5OPRM1OPRD1
SCHEMBL427420 0.87 FAAH (0.48) FAAHCES2CCR5OPRM1OPRD1
SCHEMBL425027 0.87 DRD2 (0.49) FAAHCES2OPRM1OPRD1OPRK1
SCHEMBL426174 0.86 FAAH (0.47) FAAHCES2CCR5UBE2MDCUN1D1
SCHEMBL14937934 0.86 FAAH (0.47) FAAHCES2CCR5DCUN1D1
SCHEMBL15554007 0.86 FAAH (0.64) FAAHCES2AOC3USP19POLB

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 62/4885RAD52 4575/4885

“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.