SCHEMBL4636666

SCHEMBL4636666

[O]C(=O)C1c2ccccc2CCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.52
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
RET P07949 1/20 0.45
HTR2A P28223 1/20 0.45
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.42
PIN1 Q13526 1/20 0.42
GAA P10253 1/20 0.42
HTR2C P28335 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL71512 0.87 HDAC4 (0.63) ACP3HDAC4HDAC7HDAC5HTR2A
SCHEMBL3879203 0.83 TSHR (0.53) ACP3HDAC4HDAC7HDAC5CHRM2
SCHEMBL7171729 0.81 ACP3 (0.50) ACP3HDAC4HDAC7HDAC5CHRM2
Hydrochloric Acid SCHEMBL11492466 0.81 TSHR (0.56) ACP3HDAC4HDAC7HDAC5CHRM2
Cyheptamide SCHEMBL667894 0.81 ALDH1A1 (0.62) ACP3HDAC4HDAC7HDAC5CHRM2
Cyheptamide SCHEMBL29400142 0.81 ALDH1A1 (0.62) ACP3HDAC4HDAC7HDAC5CHRM2
SCHEMBL11105741 0.81 ACP3 (0.50) ACP3HDAC4HDAC7HDAC5CHRM2
SCHEMBL28522303 0.79 ACP3 (0.48) ACP3HDAC4HDAC7HDAC5CHRM2
SCHEMBL1161912 0.78 TSHR (0.49) ACP3HDAC4HDAC7HDAC5CHRM2
SCHEMBL4541577 0.78 HDAC4 (0.79) ACP3HDAC4HDAC7HDAC5CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214600-A1 Quaternized Quinuclidine Esters ALMIRALL PRODESFARMA, SA (ES) 2008-09-04 US claimed
EP-1725552-B1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL LAB (ES) 2008-06-25 EP claimed
EP-1725552-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS Almirall Prodesfarma, S.A. (ES) 2006-11-29 EP claimed
WO-2005090342-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL PRODESFARMA, SA (ES) 2005-09-29 WO claimed
US-20080214600-A1 Quaternized Quinuclidine Esters ALMIRALL PRODESFARMA, SA (ES) 2008-09-04 US disclosed
EP-1725552-B1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
EP-1725552-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS Almirall Prodesfarma, S.A. (ES) 2006-11-29 EP disclosed
WO-2005090342-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL PRODESFARMA, SA (ES) 2005-09-29 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-20080214600-A1 Quaternized Quinuclidine Esters NQO2, QPCT, QARS1 ACP3 996/4885HDAC4 1486/4885HDAC7 1742/4885

“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.