SCHEMBL7724887

SCHEMBL7724887

CC(=O)NC1(CCO)CCCCCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
P2RX7 Q99572 1/20 0.36
HTT P42858 1/20 0.36
MME P08473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL5216206 0.84 CETP (0.38) P2RX7HTTMMEALDH1A1SMN1; SMN2
SCHEMBL5221342 0.82 CETP (0.36) CYP4F2CYP4A11P2RX7HTTMME
SCHEMBL976812 0.81 MME (0.44) CYP4F2CYP4A11P2RX7HTTMME
SCHEMBL13204901 0.79 CETP (0.42) CYP4F2CYP4A11P2RX7HTTMME
SCHEMBL13204897 0.79 CETP (0.42) CYP4F2CYP4A11P2RX7HTTMME
SCHEMBL5220339 0.79 HTT (0.38) P2RX7HTTMMEALDH1A1SMN1; SMN2
SCHEMBL15823888 0.78 ALDH1A1 (0.39) P2RX7HTTALDH1A1SMN1; SMN2MEN1
SCHEMBL23367152 0.78 MME (0.33) P2RX7HTTMMEALDH1A1POLB
SCHEMBL13204902 0.77 CETP (0.40) CYP4F2CYP4A11P2RX7MMEMEN1
SCHEMBL23715196 0.77 MME (0.41) P2RX7HTTMMEALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420398-B2 FOR TREATING AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS; 4-(3-(2-(ACETYLTHIO)ETHYL)-3-(2-CYCLOHEXYLETHYL)-UREIDOMETHYL)-1 -METHYLPYRIDINIUM IODIDE, FOR EXAMPLE; INHIBIT PRODUCTION OF TUMOR NECROSIS FACTOR ALPHA (TNF-A) SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
US-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-11-15 US disclosed
EP-1103543-A1 NOVEL UREA DERIVATIVES BEARING NITROGENOUS AROMATIC HETEROCYCLES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 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-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle TNF, UACA, HRH4 CYP4F2 2438/4885CYP4A11 1961/4885P2RX7 1453/4885

“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.