SCHEMBL6899147

SCHEMBL6899147

CN1CCN(C(=O)C2(NC(=O)N(CCO)CCC3CCCCC3)CCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.34
CTSL P07711 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
FAAH O00519 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD11B1 P28845 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6898778 0.97 ALDH1A1 (0.33) CTSBCTSLLMNATSHRALDH1A1
SCHEMBL6891136 0.87 CTSB (0.32) CTSBCTSLLMNATSHRFAAH
SCHEMBL6895838 0.84 SIGMAR1 (0.31) LMNAALDH1A1SIGMAR1KDM4EHSD11B1
SCHEMBL6895192 0.81 CNR2 (0.38) CTSBCTSLLMNAALDH1A1MAPT
SCHEMBL6898335 0.77 CNR1 (0.36) LMNAALDH1A1SIGMAR1KDM4EHSD11B1
SCHEMBL6897865 0.77 CASR (0.36) CTSBCTSLLMNAALDH1A1SIGMAR1
SCHEMBL7213998 0.74 SIGMAR1 (0.46) TSHRALDH1A1SIGMAR1HSD11B1
SCHEMBL7213852 0.74 KMT2A (0.39) SIGMAR1KDM4EMAPT
SCHEMBL7220859 0.71 SIGMAR1 (0.36) SIGMAR1KDM4EMAPT
SCHEMBL7220863 0.71 SIGMAR1 (0.36) SIGMAR1KDM4EMAPT

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 CTSB 1387/4885CTSL 869/4885LMNA 4204/4885

“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.