SCHEMBL6898335

SCHEMBL6898335

CN1CCN(C(=O)C(C)(C)NC(=O)N(CCO)CCC2CCCCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.36
CNR2 P34972 5/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 0.34
HSD11B1 P28845 1/20 0.34
CHRM3 P20309 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CASR P41180 1/20 0.33
FKBP1A P62942 2/20 0.33
TP53 P04637 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
MCHR1 Q99705 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
SCHEMBL6895895 0.86 CNR1 (0.34) CNR1CNR2ALDH1A1KDM4ESIGMAR1
SCHEMBL6895667 0.80 CXCR2 (0.37) CNR1CNR2ALDH1A1LMNACASR
SCHEMBL6890137 0.78 CNR2 (0.38) CNR1CNR2ALDH1A1LMNACASR
SCHEMBL6898778 0.78 ALDH1A1 (0.33) CNR1ALDH1A1KDM4ESIGMAR1LMNA
SCHEMBL6899147 0.77 CTSB (0.34) ALDH1A1KDM4ESIGMAR1LMNAHSD11B1
SCHEMBL7213998 0.77 SIGMAR1 (0.46) CNR1ALDH1A1SIGMAR1HSD11B1HDAC8
SCHEMBL7213852 0.76 KMT2A (0.39) KDM4ESIGMAR1HDAC3HDAC8
SCHEMBL7220859 0.73 SIGMAR1 (0.36) KDM4ESIGMAR1CASRFKBP1A
SCHEMBL7220863 0.73 SIGMAR1 (0.36) KDM4ESIGMAR1CASRFKBP1A
SCHEMBL7213907 0.70 CA12 (0.40) ALDH1A1KDM4ESIGMAR1

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 CNR1 207/4885CNR2 383/4885ALDH1A1 1309/4885

“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.