SCHEMBL6000621

SCHEMBL6000621

CN(Cc1ccc(C2CCC(C)(C)CC2)cc1)c1ccc(-c2csc(CN(C)S(=O)(=O)c3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.43
STAT3 P40763 11/20 0.40
STAT1 P42224 3/20 0.40
STAT5B P51692 3/20 0.40
AVPR1B P47901 1/20 0.40
PTGES O14684 5/20 0.40
ALOX5 P09917 4/20 0.40

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
SCHEMBL5999072 0.92 STAT3 (0.48) TRPM8STAT3STAT1STAT5BAVPR1B
SCHEMBL6000030 0.86 STAT3 (0.34) STAT3STAT1STAT5B
SCHEMBL6000624 0.86 TRPM8 (0.40) TRPM8STAT3STAT1STAT5BAVPR1B
SCHEMBL5585532 0.86 GCGR (0.40) TRPM8
SCHEMBL5585828 0.85 GCGR (0.40) TRPM8
SCHEMBL6000807 0.84 GCGR (0.33) STAT3STAT1STAT5B
SCHEMBL6001059 0.83 RXRA (0.42) TRPM8STAT3STAT1STAT5B
SCHEMBL6000694 0.83 STAT3 (0.46) STAT3STAT1STAT5B
SCHEMBL5999733 0.81 RXRA (0.42) TRPM8STAT3STAT1STAT5B
SCHEMBL5999743 0.81 OPRM1 (0.46) TRPM8STAT3STAT1STAT5BAVPR1B

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 TRPM8 3407/4885STAT3 907/4885STAT1 469/4885

“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.