SCHEMBL6798543

SCHEMBL6798543

CCCCOC(=O)c1nccn1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.55
OPRK1 P41145 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46
LMNA P02545 1/20 0.45
OPRM1 P35372 1/20 0.44
EGFR P00533 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL1593910 0.87 SMN1; SMN2 (0.55) OPRD1OPRK1TSHRMAPK1ALDH1A1
SCHEMBL6800143 0.86 OPRD1 (0.43) OPRD1OPRK1L3MBTL1TSHRTDP1
SCHEMBL17381155 0.81 RAB9A (0.57) OPRD1OPRK1TDP1ALDH1A1RAB9A
SCHEMBL30554022 0.78 SMN1; SMN2 (0.50) OPRD1OPRK1L3MBTL1MAPK1RAB9A
SCHEMBL13389039 0.77 RAB9A (0.55) OPRD1OPRK1L3MBTL1ALDH1A1POLB
SCHEMBL1345858 0.77 RAB9A (0.58) OPRD1OPRK1TDP1ALDH1A1POLB
SCHEMBL30554031 0.76 SMN1; SMN2 (0.58) OPRD1OPRK1TDP1ALDH1A1RAB9A
SCHEMBL4857159 0.76 L3MBTL1 (0.50) OPRD1OPRK1L3MBTL1TSHRTDP1
SCHEMBL30554010 0.76 SMN1; SMN2 (0.46) OPRD1OPRK1L3MBTL1ALDH1A1RAB9A
SCHEMBL418384 0.76 RAB9A (0.57) OPRD1OPRK1TSHRALDH1A1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2004-05-20 US disclosed
US-6630493-B1 Inhibitors of capain enzymes useful for the treatment of ischemias of the heart, the kidney or of central nervous system (e.g. \"stroke\"), inflammations, muscular dystrophy, cataracts of the eyes, Alzheimer's disease etc. BASF AKTIENGESELLSCHAFT (DE) 2003-10-07 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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use CAPN1, CAPNS1, CAPN2 OPRD1 1864/4885OPRK1 2162/4885L3MBTL1 4333/4885

“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.