SCHEMBL6898735

SCHEMBL6898735

CSCC[C@H](NC(=O)N(CCO)CCc1ccccc1)C(=O)N1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
KMT2A Q03164 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CCR1 P32246 1/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
UBE2N P61088 1/20 0.42
PPID Q08752 1/20 0.41
CHRM1 P11229 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GFER P55789 1/20 0.39

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
SCHEMBL6898730 1.00 NPC1 (0.45) NPC1KMT2ACRHBPCRHR2CCR1
SCHEMBL28747231 0.91 HSD17B10 (0.44) HSD17B10ALDH1A1KDM4ECHRM1
SCHEMBL6889347 0.91 HSD17B10 (0.44) HSD17B10ALDH1A1KDM4ECHRM1
SCHEMBL6898338 0.90 NPC1 (0.43) NPC1KMT2ACRHBPCRHR2CCR1
SCHEMBL6898344 0.90 NPC1 (0.43) NPC1KMT2ACRHBPCRHR2CCR1
SCHEMBL6897368 0.87 HSD17B10 (0.51) KMT2AHSD17B10ALDH1A1MEN1CHRM1
SCHEMBL27560030 0.87 HSD17B10 (0.51) KMT2AHSD17B10ALDH1A1MEN1CHRM1
SCHEMBL6895349 0.87 HSD17B10 (0.51) KMT2AHSD17B10ALDH1A1MEN1CHRM1
SCHEMBL6894721 0.87 HSD17B10 (0.48) KMT2AHSD17B10ALDH1A1MEN1CHRM1
SCHEMBL6896882 0.85 HSD17B10 (0.46) CCR1HSD17B10ALDH1A1KDM4EGAA

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 NPC1 3264/4885KMT2A 4759/4885CRHBP 833/4885

“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.