SCHEMBL6894601

SCHEMBL6894601

CN1CCN(C(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)N(CCO)CCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
UGCG Q16739 7/20 0.46
YAP1 P46937 4/20 0.45
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.44
ACE P12821 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
PPARG P37231 1/20 0.43
KDM1A O60341 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43

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
SCHEMBL27576381 1.00 ITGB3 (0.47) ITGB3ITGA2BUGCGYAP1HSD17B10
SCHEMBL27560030 0.91 HSD17B10 (0.51) UGCGHSD17B10MEN1KMT2ACYP3A4
SCHEMBL6897368 0.91 HSD17B10 (0.51) UGCGHSD17B10MEN1KMT2ACYP3A4
SCHEMBL6895349 0.91 HSD17B10 (0.51) UGCGHSD17B10MEN1KMT2ACYP3A4
SCHEMBL27559992 0.90 CYP3A4 (0.47) UGCGHSD17B10MEN1KMT2ACYP3A4
SCHEMBL6897866 0.90 CYP3A4 (0.47) UGCGHSD17B10MEN1KMT2ACYP3A4
SCHEMBL6890601 0.86 MME (0.46) UGCGHSD17B10CYP3A4ACE
SCHEMBL7682723 0.86 MME (0.46) UGCGHSD17B10CYP3A4ACE
SCHEMBL6896871 0.85 HSD17B10 (0.49) UGCGHSD17B10MEN1KMT2ACYP3A4
SCHEMBL27543469 0.85 HSD17B10 (0.49) UGCGHSD17B10MEN1KMT2ACYP3A4

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 5 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
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN 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 ITGB3 3842/4885ITGA2B 4364/4885UGCG 1365/4885

“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.