SCHEMBL4909845

SCHEMBL4909845

[CH]1CCc2nc3ccccc3cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
GLA P06280 2/20 0.46
ACHE P22303 1/20 0.46
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 4/20 0.36
GAA P10253 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTR3A P46098 1/20 0.36
STAT3 P40763 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL9099825 0.81 ALDH1A1 (0.43) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL31030237 0.81 ALDH1A1 (0.43) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL4455694 0.73 ALDH1A1 (0.42) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL28981243 0.69 ALDH1A1 (0.52) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL5179394 0.69 ALDH1A1 (0.46) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL223759 0.68 ALDH1A1 (0.45) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL10573026 0.67 ALDH1A1 (0.54) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL9819791 0.67 MEN1 (0.40) ALDH1A1KMT2AMEN1TDP1CYP3A4
SCHEMBL452908 0.67 NPC1 (0.49) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL3506845 0.67 NPC1 (0.49) ALDH1A1HPGDMAPTGLAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103163-A1 Antipruritics OYAMA TATSUYA 2008-05-01 US disclosed
US-20080103162-A1 Antipruritics OYAMA TATSUYA 2008-05-01 US disclosed
US-20060030565-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2006-02-09 US disclosed
US-6903094-B2 Amide derivatives and nociceptin antagonists JAPAN TABACCO, INC. (JP) 2005-06-07 US disclosed
US-20040116450-A1 Antipruritics NIPPON SHINYAKU CO., LTD. (JP) 2004-06-17 US disclosed
EP-1371376-A1 ANTIPRURITICS Nippon Shinyaku Co., Ltd. (JP) 2003-12-17 EP disclosed
US-20030055087-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2003-03-20 US disclosed
US-6410561-B1 ANALGESICS JAPAN TOBACCO INC. (JP) 2002-06-25 US disclosed
EP-1072263-A1 AMIDE DERIVATIVES AND NOCICEPTIN ANTAGONISTS JAPAN TOBACCO INC. (JP) 2001-01-31 EP 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 (4 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-20030055087-A1 Amide derivatives and nociceptin antagonists OPRL1, OPRD1, OPRK1 ALDH1A1 2407/4885HPGD 1358/4885MAPT 3992/4885
US-20080103162-A1 Antipruritics ITCH, NTSR1, OPRL1 ALDH1A1 3188/4885HPGD 3332/4885MAPT 353/4885
US-20080103163-A1 Antipruritics ITCH, OPRL1, NTSR1 ALDH1A1 2960/4885HPGD 3371/4885MAPT 312/4885
US-20060030565-A1 Amide derivatives and nociceptin antagonists OPRL1, OPRD1, OPRM1 ALDH1A1 2404/4885HPGD 1252/4885MAPT 4000/4885

“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.