SCHEMBL17259644

SCHEMBL17259644

COc1cc(NC(=O)CCCc2ccc(-c3ccccc3)c(N(C(=O)O)[C@H]3CC[C@H](NC(=O)OCc4ccccc4)CC3)c2)c(Cl)cc1C=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD4 P21917 7/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ACHE P22303 2/20 0.36
HPGD P15428 1/20 0.36
EPHX1 P07099 1/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
DRD3 P35462 2/20 0.34
DRD2 P14416 1/20 0.34
TSHR P16473 1/20 0.34
HTR4 Q13639 1/20 0.34

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
SCHEMBL15823047 1.00 CHEK1 (0.38) CHEK1MEN1KMT2AL3MBTL1DRD4
SCHEMBL15822752 0.91 CHEK1 (0.38) CHEK1MEN1KMT2AL3MBTL1DRD4
SCHEMBL15822756 0.91 CHEK1 (0.38) CHEK1MEN1KMT2AL3MBTL1DRD4
SCHEMBL15822514 0.86 CHEK1 (0.36) CHEK1MEN1KMT2AL3MBTL1DRD4
SCHEMBL15822512 0.86 CHEK1 (0.36) CHEK1MEN1KMT2AL3MBTL1DRD4
SCHEMBL15823641 0.84 MAPT (0.35) CHEK1MEN1KMT2AL3MBTL1HPGD
SCHEMBL17259826 0.84 SOAT1 (0.37) CHEK1MEN1KMT2AL3MBTL1DRD4
SCHEMBL17259824 0.84 SOAT1 (0.37) CHEK1MEN1KMT2AL3MBTL1DRD4
SCHEMBL17259340 0.82 EPHX1 (0.41) MEN1KMT2AEPHX1ALDH1A1GAA
SCHEMBL17259342 0.82 EPHX1 (0.41) MEN1KMT2AEPHX1ALDH1A1GAA

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
EP-2934594-B1 CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES . ALMIRALL SA (ES) 2019-09-04 EP disclosed
US-9518050-B2 Cyclohexyl and quinuclidinyl carbamate derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL, S.A. (ES) 2016-12-13 US disclosed
US-20150329535-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY ALMIRALL, S.A. (ES) 2015-11-19 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-20150329535-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY CHRM3, CHRM2, ADRB2 CHEK1 831/4885MEN1 3031/4885KMT2A 984/4885

“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.