SCHEMBL425994

SCHEMBL425994

CCN(C(=O)n1cnc(-c2ccc(F)c(F)c2)c1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
CES2 O00748 1/20 0.47
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
ADORA2A P29274 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A9 P48067 2/20 0.38
SLC6A5 Q9Y345 1/20 0.38
GRIN2B Q13224 1/20 0.37
HSD11B1 P28845 1/20 0.36
KAT6A Q92794 1/20 0.36
KAT5 Q92993 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36

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
SCHEMBL427101 0.87 FAAH (0.61) FAAHCES2MEN1KMT2AGRIN2B
SCHEMBL427562 0.85 FAAH (0.56) FAAHCES2MEN1KMT2AKCNK3
SCHEMBL425897 0.85 FAAH (0.47) FAAHCES2MEN1KMT2AKCNK3
SCHEMBL427646 0.83 FAAH (0.48) FAAHCES2TSHRSLC6A9SLC6A5
SCHEMBL424654 0.83 TSHR (0.48) FAAHCES2MEN1KMT2ATSHR
SCHEMBL427958 0.82 SMN1; SMN2 (0.52) FAAHCES2MEN1KMT2AKCNK3
SCHEMBL428153 0.80 FAAH (0.52) FAAHCES2MEN1KMT2AKCNK3
SCHEMBL425912 0.80 FAAH (0.49) FAAHCES2MEN1KMT2ATSHR
SCHEMBL427638 0.78 FAAH (0.59) FAAHCES2MEN1KMT2ATSHR
SCHEMBL427174 0.78 FAAH (0.59) FAAHCES2NPC1RAB9A

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 62/4885MEN1 2893/4885

“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.