SCHEMBL2570348

SCHEMBL2570348

O=C(O)c1ccc(COC2CCCCO2)nc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HCAR3 P49019 4/20 0.49
CREBBP Q92793 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
EP300 Q09472 1/20 0.41
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL16998554 0.90 MEN1 (0.49) MEN1KMT2AHCAR3CREBBPKDM4C
SCHEMBL15361335 0.87 KMT2A (0.46) MEN1KMT2AHCAR3CREBBPKDM4C
SCHEMBL17002030 0.85 RAB9A (0.47) MEN1KMT2ACREBBPKDM4CL3MBTL1
SCHEMBL13134681 0.84 KDM4C (0.45) MEN1KMT2AHCAR3CREBBPKDM4C
SCHEMBL3811958 0.80 KMT2A (0.64) MEN1KMT2ACREBBPNPC1RAB9A
SCHEMBL15361109 0.80 KDM4C (0.47) MEN1KMT2ACREBBPKDM4CL3MBTL1
SCHEMBL2568655 0.80 KDM4C (0.47) MEN1KMT2ACREBBPKDM4CL3MBTL1
SCHEMBL17220218 0.79 HCAR3 (0.49) HCAR3L3MBTL1MAPT
SCHEMBL21069390 0.77 KDM4C (0.47) MEN1KMT2ACREBBPKDM4CL3MBTL1
SCHEMBL4309447 0.75 CREBBP (0.59) MEN1KMT2ACREBBPKDM4CEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197879-B1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2020-02-26 EP disclosed
US-10005771-B2 Bicyclic derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2018-06-26 US disclosed
US-20170275277-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2017-09-28 US disclosed
EP-3197879-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall S.A. (ES) 2017-08-02 EP disclosed
WO-2016046390-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-03-31 WO disclosed
EP-2382194-A2 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE RESVERLOGIX CORP. (CA) 2011-11-02 EP disclosed
WO-2010079431-A2 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE RESVERLOGIX CORP. (CA) 2010-07-15 WO 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 (2 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-20170275277-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 MEN1 3563/4885KMT2A 1434/4885HCAR3 210/4885
US-10005771-B2 Bicyclic derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ADRB2, CHRM3, CHRM2 MEN1 3856/4885KMT2A 1259/4885HCAR3 194/4885

“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.