SCHEMBL428262

SCHEMBL428262

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
CES2 O00748 1/20 0.44
KCNH2 Q12809 3/20 0.41
DRD3 P35462 2/20 0.39
CCR5 P51681 5/20 0.37
MCHR1 Q99705 2/20 0.35
PARP1 P09874 1/20 0.35
UBE2M P61081 2/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
MTOR P42345 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CACNA2D1 P54289 1/20 0.34

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
SCHEMBL426223 0.92 FAAH (0.46) FAAHCES2KCNH2CCR5MCHR1
SCHEMBL428048 0.91 FAAH (0.46) FAAHCES2KCNH2CCR5MCHR1
SCHEMBL426166 0.88 FAAH (0.44) FAAHCES2KCNH2CCR5
SCHEMBL426140 0.86 DRD2 (0.45) FAAHCES2KCNH2DRD3CCR5
SCHEMBL427435 0.86 FAAH (0.42) FAAHCES2KCNH2CCR5UBE2M
SCHEMBL16430328 0.86 FAAH (0.42) FAAHCES2KCNH2DRD3CCR5
SCHEMBL424688 0.86 FAAH (0.58) FAAHCES2MTOR
SCHEMBL425023 0.85 DRD3 (0.43) FAAHCES2DRD3CCR5PARP1
SCHEMBL427174 0.85 FAAH (0.59) FAAHCES2MTOR
SCHEMBL426209 0.85 FAAH (0.46) FAAHCES2KCNH2MTOR

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 62/4885KCNH2 1739/4885

“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.