SCHEMBL4808801

SCHEMBL4808801

COc1ccc(C2=C(N(C)C)C=CC[CH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.38
MAPT P10636 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ESR2 Q92731 2/20 0.35
NISCH Q9Y2I1 1/20 0.35
SLC2A1 P11166 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL5886818 0.78 CA12 (0.39) APPMAPTKDM4EALDH1A1CA12
SCHEMBL5887069 0.77 CA12 (0.38) APPMAPTKDM4EALDH1A1CA12
SCHEMBL6047581 0.75 ACHE (0.50) MAPTALDH1A1HPGDCA12CA1
SCHEMBL6047623 0.75 ALDH1A1 (0.47) MAPTKDM4EALDH1A1TDP1NPC1
SCHEMBL6047592 0.74 ALOX5 (0.44) MAPTALDH1A1HPGDMAPK1NPC1
SCHEMBL6047658 0.69 NPC1 (0.41) APPMAPTKDM4EALDH1A1TDP1
SCHEMBL5887283 0.63 BACE1 (0.42) APPMAPTKDM4ECA12CA1
SCHEMBL11714214 0.63 APP (0.71) APPMAPTKDM4EALDH1A1HPGD
SCHEMBL6733562 0.62 CA1 (0.79) APPMAPTKDM4EALDH1A1CA12
SCHEMBL197522 0.62 CA1 (0.79) APPMAPTKDM4EALDH1A1CA12

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
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
EP-1641762-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 US disclosed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP disclosed
WO-2005005393-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-20 WO disclosed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 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-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR APP 3494/4885MAPT 4740/4885KDM4E 3601/4885

“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.