SCHEMBL428153

SCHEMBL428153

CCN(C(=O)n1cnc(-c2cccnc2)c1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.52
CES2 O00748 1/20 0.52
CYP2E1 P05181 3/20 0.49
CYP2A6 P11509 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2B6 P20813 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39

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
SCHEMBL427562 0.90 FAAH (0.56) FAAHCES2ALDH1A1L3MBTL1MEN1
SCHEMBL424140 0.87 FAAH (0.67) FAAHCES2CYP2E1CYP2A6CYP2C9
SCHEMBL426094 0.85 FAAH (0.66) FAAHCES2CYP2E1CYP2A6CYP2C9
SCHEMBL425912 0.82 FAAH (0.49) FAAHCES2CYP2C19CYP3A4ALDH1A1
SCHEMBL427646 0.81 FAAH (0.48) FAAHCES2HSP90AA1
SCHEMBL428158 0.81 FAAH (0.78) FAAHCES2ALDH1A1HSP90AA1L3MBTL1
SCHEMBL425897 0.80 FAAH (0.47) FAAHCES2CYP2C19CYP3A4ALDH1A1
SCHEMBL425994 0.80 FAAH (0.47) FAAHCES2CYP2C19CYP3A4L3MBTL1
SCHEMBL15560231 0.80 CYP2A6 (0.59) FAAHCES2CYP2E1CYP2A6CYP2C9
SCHEMBL424654 0.79 TSHR (0.48) FAAHCES2POLBMEN1MAPT

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 7 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-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
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO 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 62/4885CYP2E1 222/4885

“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.