SCHEMBL428048

SCHEMBL428048

CCCN1CCC(N(C)C(=O)n2cnc(-c3ccc(O)c(O)c3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
CES2 O00748 1/20 0.46
CCR5 P51681 4/20 0.36
EGLN1 Q9GZT9 1/20 0.36
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 3/20 0.35
UBE2M P61081 2/20 0.34
DCUN1D1 Q96GG9 2/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
DRD2 P14416 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAPT P10636 1/20 0.34
USP19 O94966 1/20 0.33

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
SCHEMBL428262 0.91 FAAH (0.44) FAAHCES2CCR5EGLN1KCNH2
SCHEMBL425023 0.90 DRD3 (0.43) FAAHCES2CCR5DYRK1A
SCHEMBL425070 0.87 FAAH (0.50) FAAHCES2DRD2
SCHEMBL428200 0.86 FAAH (0.46) FAAHCES2CCR5MCHR1DRD2
SCHEMBL427432 0.85 SMN1; SMN2 (0.45) FAAHCES2CCR5
SCHEMBL426100 0.85 DRD2 (0.47) FAAHCES2KCNH2DRD2
SCHEMBL14950179 0.85 FAAH (0.50) FAAHCES2CCR5KCNH2UBE2M
Bromide SCHEMBL16429699 0.85 DRD2 (0.47) FAAHCES2KCNH2DRD2
SCHEMBL427909 0.84 FAAH (0.49) FAAHCES2CCR5KCNH2UBE2M
SCHEMBL14938037 0.84 FAAH (0.49) FAAHCES2CCR5KCNH2UBE2M

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 62/4885CCR5 1633/4885

“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.