SCHEMBL3884344

SCHEMBL3884344

OC1CCN(CCOCCc2cccc(Cl)c2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CXCR4 P61073 1/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
ACHE P22303 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KCNH2 Q12809 1/20 0.39
CYP2A13 Q16696 1/20 0.39
KCNA3 P22001 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN9A Q15858 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3888022 0.90 KCNH2 (0.51) ALDH1A1CXCR4KDM4EKCNH2KCNA3
SCHEMBL3886869 0.85 HRH3 (0.42) ALDH1A1SMN1; SMN2KDM4EACHEHRH3
SCHEMBL3886370 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EPOLBACHE
SCHEMBL3883627 0.79 CCR3 (0.42) ALDH1A1SMN1; SMN2POLBKMT2AL3MBTL1
SCHEMBL3891566 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EPOLBKCNH2
SCHEMBL3893665 0.77 HTR7 (0.41) ALDH1A1KDM4EACHEHRH3KCNA3
SCHEMBL3958257 0.75 HRH3 (0.58) ACHEHRH3KCNA3KMT2A
SCHEMBL24008405 0.73 KCNH2 (0.50) KCNH2KCNA3
SCHEMBL47921 0.72 TSHR (0.55) ACHE
SCHEMBL18716802 0.70 TAAR1 (0.49) ALDH1A1KDM4EPOLBCYP2A13TAAR1

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 ALDH1A1 2322/4885SMN1; SMN2 4328/4885CXCR4 2538/4885

“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.