SCHEMBL15822508

SCHEMBL15822508

C=CCCn1c(=O)oc2cc(/C=C/OC)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 2/20 0.36
▸ MIF P14174 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ KMO O15229 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL15822510 1.00 MET (0.36) METMIFALDH1A1NPSR1KMO
SCHEMBL15823048 0.88 MIF (0.40) MIFALDH1A1NPSR1MAPTHPGD
SCHEMBL15823046 0.88 MIF (0.40) MIFALDH1A1NPSR1MAPTHPGD
SCHEMBL14940314 0.88 MET (0.38) METMIFALDH1A1NPSR1KMO
SCHEMBL14940312 0.88 MET (0.38) METMIFALDH1A1NPSR1KMO
SCHEMBL14940683 0.83 ALDH1A1 (0.41) ALDH1A1NPSR1KMOMAPTAPEX1
SCHEMBL14940681 0.83 ALDH1A1 (0.41) ALDH1A1NPSR1KMOMAPTAPEX1
SCHEMBL15822980 0.82 SIGMAR1 (0.42) MIFALDH1A1NPSR1APEX1HPGD
SCHEMBL16145821 0.79 MAPT (0.40) METALDH1A1NPSR1MAPTHPGD
SCHEMBL16145819 0.79 MAPT (0.40) METALDH1A1NPSR1MAPTHPGD

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 5 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
EP-2934594-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY Almirall, S.A. (ES) 2015-10-28 — — EP disclosed
WO-2014095920-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY ALMIRALL, S.A. (ES) 2014-06-26 — — 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 (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 MET 2584/4885MIF 4077/4885ALDH1A1 2719/4885

“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.

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