SCHEMBL6898797

SCHEMBL6898797

C=C(C)CCN(CCSC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCN(C)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL7673732 0.87 HTR1A (0.32) HTR1A
SCHEMBL6899179 0.87 HTR1A (0.32) HTR1A
SCHEMBL6890753 0.86 HTR1A (0.36) HTR1AHSD17B10KDM4EALDH1A1KDM4C
SCHEMBL6899406 0.86 KDM4E (0.34) HTR1AHSD17B10KDM4EALDH1A1KDM4C
SCHEMBL6895514 0.85 MBOAT4 (0.33) HTR1A
SCHEMBL6891091 0.84 TP53 (0.33) HTR1A
SCHEMBL6897336 0.83 TP53 (0.34) HTR1A
SCHEMBL6897826 0.82 TP53 (0.36) KDM4EALDH1A1
SCHEMBL7657328 0.82 TP53 (0.34) HTR1A
SCHEMBL6895866 0.82 TP53 (0.34) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (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 (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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH HTR1A 2802/4885HSD17B10 1909/4885KDM4E 2856/4885

“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.