SCHEMBL6895829

SCHEMBL6895829

CC(=O)SCCN(CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.49
AVPR1B P47901 1/20 0.44
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
UGCG Q16739 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FPR2 P25090 3/20 0.42
CTSL P07711 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CTSB P07858 1/20 0.40
CTSS P25774 1/20 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
SCHEMBL6895429 0.96 HSD17B10 (0.47) CHRM1HSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL6891051 0.96 HSD17B10 (0.47) CHRM1HSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL27538309 0.96 HSD17B10 (0.47) CHRM1HSD17B10ALDH1A1CYP3A4UGCG
Fumaric Acid SCHEMBL6895604 0.92 CTSL (0.45) CHRM1HSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL6893485 0.92 CYP3A4 (0.44) CHRM1HSD17B10ALDH1A1CYP3A4UGCG
Fumaric Acid SCHEMBL6895606 0.92 CTSL (0.45) CHRM1HSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL27538327 0.92 CYP3A4 (0.44) CHRM1HSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL6897039 0.91 HSD17B10 (0.45) CHRM1HSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL6895008 0.89 HSD17B10 (0.42) CHRM1HSD17B10ALDH1A1CYP3A4UGCG
SCHEMBL6895694 0.89 HSD17B10 (0.42) CHRM1HSD17B10ALDH1A1CYP3A4UGCG

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 CHRM1 340/4885AVPR1B 1989/4885HSD17B10 1909/4885

“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.