SCHEMBL427646

SCHEMBL427646

CCN(C(=O)n1cnc(-c2ccc(OC)cc2)c1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
CES2 O00748 1/20 0.48
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A9 P48067 6/20 0.43
TSHR P16473 1/20 0.43
TRPM8 Q7Z2W7 4/20 0.43
ADORA3 P0DMS8 1/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
HSP90AA1 P07900 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL425912 0.89 FAAH (0.49) FAAHCES2NPC1RAB9ASLC6A9
SCHEMBL424654 0.88 TSHR (0.48) FAAHCES2S1PR1S1PR3RAB9A
SCHEMBL427958 0.87 SMN1; SMN2 (0.52) FAAHCES2TSHRHSP90AA1
SCHEMBL425992 0.86 FAAH (0.62) FAAHCES2S1PR1S1PR3NPC1
SCHEMBL427562 0.86 FAAH (0.56) FAAHCES2S1PR1S1PR3NPC1
SCHEMBL425965 0.85 FAAH (0.61) FAAHCES2S1PR1S1PR3NPC1
SCHEMBL425897 0.83 FAAH (0.47) FAAHCES2NPC1RAB9ATSHR
SCHEMBL425994 0.83 FAAH (0.47) FAAHCES2NPC1RAB9ASLC6A9
SCHEMBL428153 0.81 FAAH (0.52) FAAHCES2HSP90AA1
SCHEMBL428158 0.78 FAAH (0.78) FAAHCES2RAB9AHSP90AA1

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 6 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

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 62/4885S1PR1 688/4885

“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.