SCHEMBL7046316

SCHEMBL7046316

CC(C)CCN(C(=O)OCc1ccccc1)C(=O)N(CCCc1ccccc1)C(=O)C1=NCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM2 P08172 1/20 0.36
CCR6 P51684 1/20 0.34
PAX8 Q06710 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
OPRM1 P35372 2/20 0.33

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
SCHEMBL6468396 0.88 LMNA (0.37) LMNAPKMHDAC3HDAC4HDAC1
SCHEMBL7046896 0.85 CCR6 (0.33) CHRM5CHRM1CHRM3CHRM2CCR6
SCHEMBL7416862 0.83 CHRM2 (0.33) CHRM5CHRM1CHRM3CHRM2CCR6
SCHEMBL7416860 0.83 CHRM2 (0.33) CHRM5CHRM1CHRM3CHRM2CCR6
SCHEMBL6061795 0.82 CHRM5 (0.36) CHRM5CHRM1CHRM3CHRM2CCR6
SCHEMBL7046959 0.78 DAGLA (0.45)
SCHEMBL6063440 0.78 ALDH1A1 (0.44) LMNAOPRM1OPRK1
SCHEMBL7799705 0.77 CCR6 (0.38) CCR6PAX8LMNAPKMOPRM1
SCHEMBL7043165 0.77 MAPK1 (0.38) CCR6PAX8LMNAPKMOPRM1
SCHEMBL7790158 0.75 CCR6 (0.42) CCR6PAX8LMNAPKMOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CHRM5 4836/4885CHRM1 4838/4885CHRM3 4500/4885

“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.