SCHEMBL6898356

SCHEMBL6898356

O=C(NC1(C(=O)OCc2ccccc2)CC1)N(CCO)CCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.39
ALDH1A1 P00352 1/20 0.38
FKBP1A P62942 2/20 0.37
CASP1 P29466 1/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
CHRM4 P08173 1/20 0.37
EPHX1 P07099 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
CTSK P43235 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6890662 0.97 CTSL (0.40) CASRALDH1A1FKBP1ACASP1CTSL
SCHEMBL6897865 0.79 CASR (0.36) CASRALDH1A1CTSLCTSBEPHX1
SCHEMBL6895192 0.76 CNR2 (0.38) CASRALDH1A1CTSLCTSBEPHX1
SCHEMBL7220718 0.75 GRIN2B (0.52)
SCHEMBL16391370 0.72 CTSS (0.52) ALDH1A1FKBP1ACTSLCTSBCTSS
SCHEMBL6898887 0.72 MME (0.53) ALDH1A1
SCHEMBL1840727 0.72 CTSL (0.48) ALDH1A1FKBP1ACTSLCTSBCTSS
SCHEMBL27560005 0.71 REN (0.49) CASR
SCHEMBL17754372 0.70 CTSS (0.52) ALDH1A1FKBP1ACTSLCTSBCTSS
SCHEMBL27560015 0.69 CASR (0.46) CASRALDH1A1MEN1KMT2A

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 CASR 2206/4885ALDH1A1 1309/4885FKBP1A 2706/4885

“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.