SCHEMBL6898778

SCHEMBL6898778

CN1CCN(C(=O)C2(NC(=O)N(CCO)CCC3CCCCC3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD11B1 P28845 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.31
CTSL P07711 2/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 2/20 0.31
CNR1 P21554 1/20 0.30
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 1/20 0.30

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
SCHEMBL6899147 0.97 CTSB (0.34) ALDH1A1SIGMAR1KDM4EHSD11B1LMNA
SCHEMBL6895838 0.87 SIGMAR1 (0.31) ALDH1A1SIGMAR1KDM4EHSD11B1LMNA
SCHEMBL6891136 0.84 CTSB (0.32) ALDH1A1SIGMAR1KDM4ELMNATSHR
SCHEMBL6897865 0.80 CASR (0.36) ALDH1A1SIGMAR1LMNATP53CTSL
SCHEMBL6898335 0.78 CNR1 (0.36) ALDH1A1SIGMAR1KDM4EHSD11B1LMNA
SCHEMBL6895192 0.77 CNR2 (0.38) ALDH1A1LMNATP53CTSLCTSB
SCHEMBL7213998 0.75 SIGMAR1 (0.46) ALDH1A1SIGMAR1HSD11B1TSHRCNR1
SCHEMBL7213852 0.75 KMT2A (0.39) SIGMAR1KDM4E
SCHEMBL7220859 0.71 SIGMAR1 (0.36) SIGMAR1KDM4E
SCHEMBL7220863 0.71 SIGMAR1 (0.36) SIGMAR1KDM4E

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 ALDH1A1 1309/4885SIGMAR1 26/4885KDM4E 2856/4885

“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.