SCHEMBL427552

SCHEMBL427552

CCC1COCN1C(=O)n1cnc(-c2cccc(OC)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
AVPR1B P47901 2/20 0.39
GAA P10253 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
HPGDS O60760 1/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NEK2 P51955 1/20 0.36
USP30 Q70CQ3 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL425924 0.87 FAAH (0.46) TP53ALDH1A1
SCHEMBL427913 0.81 GRM2 (0.34)
SCHEMBL427956 0.75 TP53 (0.39) NPSR1NPC1RAB9AGAATP53
SCHEMBL16433071 0.73 STIM1 (0.48) NPC1RAB9AGAATP53MAPT
SCHEMBL425878 0.73 BACE1 (0.40) NPSR1NPC1RAB9AGAATP53
SCHEMBL427555 0.72 FAAH (0.46) NPSR1ALDH1A1MAPK1
SCHEMBL425912 0.72 FAAH (0.49) NPSR1NPC1RAB9ATP53MAPT
SCHEMBL427957 0.72 LMNA (0.40) NPC1RAB9ATP53MAPTTSHR
SCHEMBL14938269 0.71 RAB9A (0.47) NPC1RAB9AAVPR1BTSHRUSP2
SCHEMBL427155 0.70 FAAH (0.62) NPSR1NPC1RAB9AGAATP53

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 5 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
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 NPSR1 384/4885NPC1 446/4885RAB9A 2266/4885

“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.