SCHEMBL6890601

SCHEMBL6890601

CN1CCN(C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)N(CCO)CCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.46
ACE P12821 7/20 0.46
CYP3A4 P08684 1/20 0.45
UGCG Q16739 1/20 0.45
HSD17B10 Q99714 1/20 0.42
CHRM1 P11229 2/20 0.41
PIN1 Q13526 2/20 0.41
PLG P00747 2/20 0.41
KLKB1 P03952 1/20 0.41
PROC P04070 1/20 0.41
CCKBR P32239 1/20 0.41

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
SCHEMBL7682723 1.00 MME (0.46) MMEACECYP3A4UGCGHSD17B10
SCHEMBL27560030 0.91 HSD17B10 (0.51) CYP3A4UGCGHSD17B10CHRM1
SCHEMBL6895349 0.91 HSD17B10 (0.51) CYP3A4UGCGHSD17B10CHRM1
SCHEMBL6897368 0.91 HSD17B10 (0.51) CYP3A4UGCGHSD17B10CHRM1
SCHEMBL6894779 0.89 MME (0.43) MMEACECYP3A4UGCGHSD17B10
SCHEMBL27559981 0.89 MME (0.43) MMEACECYP3A4UGCGHSD17B10
SCHEMBL6897866 0.88 CYP3A4 (0.47) CYP3A4UGCGHSD17B10CHRM1
SCHEMBL27559992 0.88 CYP3A4 (0.47) CYP3A4UGCGHSD17B10CHRM1
SCHEMBL6894601 0.86 ITGB3 (0.47) ACECYP3A4UGCGHSD17B10
SCHEMBL27576381 0.86 ITGB3 (0.47) ACECYP3A4UGCGHSD17B10

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 MME 1516/4885ACE 1063/4885CYP3A4 1139/4885

“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.