SCHEMBL6000191

SCHEMBL6000191

CCC(CC)c1ccc2c(c1)nc(-c1csc(COc3ccc(C(=O)O)cc3)n1)n2CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.43
VDR P11473 3/20 0.42
NR1H4 Q96RI1 3/20 0.42
CNR2 P34972 6/20 0.42
CNR1 P21554 3/20 0.42
ALOX5 P09917 3/20 0.42

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
SCHEMBL6001137 0.83 MAPT (0.40) VDRNR1H4CNR2CNR1
SCHEMBL6000497 0.83 RXRA (0.45) VDRNR1H4ALOX5
SCHEMBL5999795 0.78 RXRA (0.43) VDRNR1H4ALOX5
SCHEMBL6000446 0.77 VDR (0.40) VDRNR1H4ALOX5
SCHEMBL6000599 0.77 PTPN2 (0.37) VDRNR1H4ALOX5
SCHEMBL6000770 0.76 MAPT (0.46) CNR2CNR1ALOX5
SCHEMBL5047852 0.71 PPARD (0.45) ALOX5
SCHEMBL5044108 0.69 MAPT (0.40) ALOX5
SCHEMBL2948521 0.66 CNR2 (0.58) PTGER4CNR2
SCHEMBL5045076 0.65 MAPT (0.40) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 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 (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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 PTGER4 2756/4885VDR 1268/4885NR1H4 262/4885

“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.