SCHEMBL7044302

SCHEMBL7044302

[CH2][C@@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.58
BCHE P06276 6/20 0.57
BACE1 P56817 6/20 0.57
CCR3 P51677 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SIGMAR1 Q99720 2/20 0.55
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL4041606 1.00 ACHE (0.58) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL17986116 1.00 ACHE (0.58) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL22829165 0.89 CYP2D6 (0.66) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL5304176 0.89 CYP2D6 (0.66) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL1232375 0.89 ACHE (0.67) ACHEBCHEBACE1CCR3ALDH1A1
SCHEMBL5851129 0.88 CYP2D6 (0.59) ACHEBCHEBACE1CCR3CYP1A2
Hydrochloric Acid SCHEMBL28439633 0.87 ACHE (0.65) ACHEBCHEBACE1CCR3ALDH1A1
SCHEMBL3846308 0.80 ALDH1A1 (0.58) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL6972698 0.79 ACHE (0.59) ACHEBCHEBACE1CCR3CYP1A2
SCHEMBL5858096 0.79 ACHE (0.59) ACHEBCHEBACE1CCR3CYP1A2

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-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP claimed
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-26 US claimed
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-04 US claimed
US-9579314-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-02-28 US claimed
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 US claimed
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP disclosed
US-20030100588-A1 Indole-type inhibitors of p38 kinase SCIOS, INC. 2003-05-29 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 (4 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-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B ACHE 309/4885BCHE 718/4885BACE1 898/4885
US-20030100588-A1 Indole-type inhibitors of p38 kinase CNKSR1, MAPK1, MAP2K6 ACHE 4718/4885BCHE 4795/4885BACE1 3717/4885
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B ACHE 309/4885BCHE 718/4885BACE1 898/4885
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B ACHE 309/4885BCHE 718/4885BACE1 898/4885

“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.