SCHEMBL3137954

SCHEMBL3137954

CN(C)CCCOc1ccc(CC=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.67
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LSS P48449 1/20 0.56
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
LTA4H P09960 1/20 0.50
CACNA1B Q00975 2/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
MAPK14 Q16539 1/20 0.47

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
SCHEMBL6588597 0.91 HRH3 (0.66) HRH3KDM4EALDH1A1SMN1; SMN2KEAP1
SCHEMBL14606842 0.85 HRH3 (0.65) HRH3KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL9671156 0.83 KDM4E (0.83) HRH3KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL18464818 0.82 HRH3 (0.61) HRH3KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL12088667 0.82 SMN1; SMN2 (0.56) KDM4EALDH1A1SMN1; SMN2LTA4H
SCHEMBL272824 0.81 ALDH1A1 (0.62) HRH3KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL12359378 0.80 HRH3 (0.73) HRH3KDM4EALDH1A1SMN1; SMN2LSS
Hydrochloric Acid SCHEMBL5693237 0.79 ALDH1A1 (0.61) HRH3KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL110784 0.79 KEAP1 (0.83) HRH3KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL3260775 0.79 HRH3 (0.71) HRH3KDM4EALDH1A1SMN1; SMN2LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329911-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-12-11 US disclosed
US-20100063096-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2010-03-11 US disclosed
US-7642355-B2 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; e.g. biphenyl-2-ylcarbamic acid 1-(2-(5-[4-(3-dimethylaminopropoxy)benzylamino]pentylcarbamoyl)ethyl)piperidin-4-yl ester THERAVANCE, INC. (US) 2010-01-05 US disclosed
EP-1866284-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2007-12-19 EP disclosed
WO-2006099167-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO disclosed
US-20060205779-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2006-09-14 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 (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-20060205779-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 HRH3 87/4885KDM4E 2416/4885ALDH1A1 1128/4885
US-20100063096-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 HRH3 87/4885KDM4E 2416/4885ALDH1A1 1128/4885

“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.