SCHEMBL6897088

SCHEMBL6897088

C[C@H](NC(=O)N(CCSC(=O)c1ccccc1)CCc1ccccc1)C(=O)N1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
CHRM1 P11229 5/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CTSB P07858 1/20 0.37
AVPR1A P37288 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MC4R P32245 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 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
Cadaverine Tartrate SCHEMBL6898743 0.96 HSD17B10 (0.41) HSD17B10CHRM1ALDH1A1KDM4ECTSB
SCHEMBL27538415 0.90 HSD17B10 (0.46) HSD17B10CHRM1ALDH1A1KDM4ECTSB
SCHEMBL6895946 0.90 HSD17B10 (0.46) HSD17B10CHRM1ALDH1A1KDM4ECTSB
SCHEMBL6891371 0.90 HSD17B10 (0.46) HSD17B10CHRM1ALDH1A1KDM4ECTSB
SCHEMBL6897587 0.89 HSD17B10 (0.44) HSD17B10CHRM1ALDH1A1KDM4E
SCHEMBL6898665 0.88 HSD17B10 (0.47) HSD17B10CHRM1ALDH1A1KDM4E
SCHEMBL6897496 0.86 HSD17B10 (0.45) HSD17B10CHRM1ALDH1A1KDM4EAVPR1A
SCHEMBL6898126 0.85 HSD17B10 (0.40) HSD17B10CHRM1ALDH1A1KDM4EKMT2A
SCHEMBL6899395 0.84 HSD17B10 (0.49) HSD17B10CHRM1ALDH1A1KDM4E
SCHEMBL27541920 0.84 HSD17B10 (0.49) HSD17B10CHRM1ALDH1A1KDM4E

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-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
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 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 HSD17B10 1909/4885CHRM1 340/4885ALDH1A1 1309/4885

“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.