SCHEMBL426174

SCHEMBL426174

CCCN1CCC(N(C)C(=O)n2cnc(-c3cccc(C(=O)NO)c3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
CES2 O00748 1/20 0.47
HDAC8 Q9BY41 6/20 0.38
HDAC6 Q9UBN7 6/20 0.38
HDAC4 P56524 5/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC7 Q8WUI4 5/20 0.38
HDAC9 Q9UKV0 5/20 0.38
HDAC5 Q9UQL6 5/20 0.38
HDAC3 O15379 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
SLC5A7 Q9GZV3 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
DCUN1D1 Q96GG9 5/20 0.37
UBE2M P61081 4/20 0.37

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
SCHEMBL14938037 0.88 FAAH (0.49) FAAHCES2MEN1ALDH1A1MAPT
SCHEMBL425287 0.88 HDAC1 (0.52) FAAHCES2HDAC8HDAC6HDAC4
SCHEMBL427918 0.87 FAAH (0.47) FAAHCES2CCR5
SCHEMBL425070 0.87 FAAH (0.50) FAAHCES2
SCHEMBL14950179 0.87 FAAH (0.50) FAAHCES2DCUN1D1UBE2MCCR5
SCHEMBL427909 0.86 FAAH (0.49) FAAHCES2DCUN1D1UBE2MCCR5
SCHEMBL14937747 0.86 SLC5A7 (0.42) FAAHCES2SLC5A7ALDH1A1DCUN1D1
SCHEMBL426103 0.86 FAAH (0.63) FAAHCES2HDAC8HDAC6HDAC4
SCHEMBL425030 0.86 FAAH (0.52) FAAHCES2HDAC8HDAC6HDAC4
SCHEMBL427420 0.84 FAAH (0.48) FAAHCES2CCR5KDM2B

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 62/4885HDAC8 825/4885

“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.