SCHEMBL3888022

SCHEMBL3888022

OC1CCN(CCOCCc2ccccc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.51
KCNA3 P22001 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CXCR4 P61073 2/20 0.43
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL3884344 0.90 ALDH1A1 (0.42) KCNH2KCNA3KDM4EALDH1A1KMT2A
SCHEMBL3886869 0.85 HRH3 (0.42) KCNH2KCNA3KDM4EALDH1A1KMT2A
SCHEMBL3958257 0.80 HRH3 (0.58) KCNA3KMT2A
SCHEMBL3887163 0.80 KCNH2 (0.53) KCNH2KDM4EALDH1A1KMT2A
SCHEMBL4140217 0.78 GRM5 (0.44) ALDH1A1KMT2AMAPT
SCHEMBL8551996 0.76 CXCR4 (0.69) KDM4EALDH1A1KMT2ACXCR4MAPT
SCHEMBL3893665 0.76 HTR7 (0.41) KCNA3KDM4EALDH1A1HTR1A
SCHEMBL28565719 0.75 TAAR1 (0.58) KCNH2SLC6A4
SCHEMBL13719559 0.75 HRH3 (0.65) KCNH2KDM4EALDH1A1KMT2ASLC6A4
SCHEMBL47921 0.74 TSHR (0.55) HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A KCNH2 866/4885KCNA3 417/4885CARM1 1136/4885

“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.