SCHEMBL4801302

SCHEMBL4801302

[c]1ncccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SCN4A P35499 1/20 0.45
RIPK1 Q13546 1/20 0.44
TSHR P16473 1/20 0.43
NISCH Q9Y2I1 1/20 0.42
GSTP1 P09211 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TLR8 Q9NR97 1/20 0.40
NR1H2 P55055 1/20 0.39
BAX Q07812 1/20 0.39
MAOA P21397 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ERBB2 P04626 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
SCHEMBL5066564 0.80 CLK4 (0.48) NPC1RAB9ASCN4ARIPK1NISCH
SCHEMBL27968875 0.76 LTA4H (0.45) LTA4HNPC1RAB9ASCN4ATSHR
SCHEMBL11608478 0.76 NCOA1 (0.40) LTA4HTSHRALDH1A1
SCHEMBL1515426 0.73 NISCH (0.38) NPC1RAB9ANISCHALDH1A1
SCHEMBL328754 0.73 LTA4H (0.44) LTA4HNPC1RAB9ASCN4ATSHR
SCHEMBL4590846 0.73 MAPK14 (0.35) NPC1RAB9AALDH1A1
SCHEMBL5797199 0.72 MAPT (0.43) NPC1RAB9AALDH1A1
SCHEMBL360859 0.72 LTA4H (0.48) LTA4HNPC1RAB9ASCN4ARIPK1
SCHEMBL2860844 0.71 LTA4H (0.75) LTA4HNPC1RAB9ASCN4ATSHR
SCHEMBL197414 0.71 LTA4H (0.75) LTA4HNPC1RAB9ASCN4ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed
JP-2006501194-A 2006-01-12 JP claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 US disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 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 (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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R LTA4H 3106/4885NPC1 1831/4885RAB9A 1054/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR LTA4H 3968/4885NPC1 1873/4885RAB9A 1457/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 LTA4H 936/4885NPC1 1514/4885RAB9A 1988/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R LTA4H 3360/4885NPC1 2930/4885RAB9A 1724/4885

“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.